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THE IMPACT OF LAND-USE AND GLOBAL CHANGE ON WATER-RELATED AGRO- ECOSYSTEM SERVICES IN THE MIDWEST US BY ANDREW D VANLOOCKE DISSERTATION Submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy in Atmospheric Sciences in the Graduate College of the University of Illinois at Urbana-Champaign, 2012 Urbana, Illinois Doctoral Committee: Professor Carl J Bernacchi, Chair Professor Stephen P Long Professor Stephen W Nesbitt Professor Donald J Wuebbles

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THE IMPACT OF LAND-USE AND GLOBAL CHANGE ON WATER-RELATED AGRO-

ECOSYSTEM SERVICES IN THE MIDWEST US

BY

ANDREW D VANLOOCKE

DISSERTATION

Submitted in partial fulfillment of the requirements

for the degree of Doctor of Philosophy in Atmospheric Sciences

in the Graduate College of the

University of Illinois at Urbana-Champaign, 2012

Urbana, Illinois

Doctoral Committee:

Professor Carl J Bernacchi, Chair

Professor Stephen P Long

Professor Stephen W Nesbitt

Professor Donald J Wuebbles

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ABSTRACT

Humans have and are likely to continue to dramatically alter both the global landscape

through the conversion of natural ecosystems into agriculture, and the atmosphere through the

combustion of biomass and fossil fuels to meet the need for food and energy. Associated with

these land use and global changes are major alterations in the biogeochemical cycles of carbon,

water, and nitrogen, which have important implications on the growth and function of

ecosystems and the services they provide for humanity. This dissertation investigates the

impacts on water-related agro-ecosystem services associated with increasing concentrations of

the tropospheric pollutant ozone ([O3]) and land use change for cellulosic feedstocks in the

Midwestern United States. This study focused on quantifying changes in water-related agro-

ecosystem services including direct changes to water quantity, water use efficiency (WUE) that

links the carbon cycle to water, and water quality that links the nitrogen cycle to water. In the

context of these land-use and global changes and the associated changes in water-related agro-

ecosystem services, the goals of this research are to: 1) determine the concentration at which

soybean latent heat flux (λET) is sensitive to O3, test whether decreases in λET are linked with the

concentration of O3, and find whether an increase in O3 has an impact on WUE 2) determine the

regional distribution of water use and WUE for Miscanthus × giganteus (miscanthus) and

Panicum virgatum (switchgrass) two of the leading candidate cellulosic feedstocks, relative to

Zea mays L. (maize), the current dominant ethanol feedstock 3) determine the change in

streamflow in the Mississippi-Atchafalya River Basin (MARB) and the export of dissolved

inorganic nitrogen (DIN) to the Gulf of Mexico hypoxic region associated with large-scale

production of miscanthus and switchgrass.

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Micrometeorological measurements were made at the Soybean Free Air Concentration

Enrichment facility to determine the sensible heat flux (H) and latent heat flux (λET) of a

commercial soybean cultivar exposed to ozone concentrations ranging from current levels (ca. 40

ppb) to three times current (ca. 120 ppb). As [O3] increased from the lowest to highest level,

soybean canopy λET declined and H increased. Exposure to increased [O3] also resulted in

warmer canopies especially during the day. The [O3]-induced relative decline in ET was half

that of the relative decline in seed yield, driving a 50% reduction in seasonal WUE. To assess

the impact of land use change for bioenergy production a vegetation model (Agro-IBIS) capable

of simulating the growth, function and ecosystem uptake of water and carbon and leaching of

Dissolved Inorganic Nitrogren (DIN) was coupled with a hydrology model (THMB) that

simulated streamflow and DIN export. Algorithms were developed for Agro-IBIS and tested for

their ability to simulate miscanthus and switchgrass. Using this modeling framework a series of

simulations were conducted using historical climate data throughout the 20th

century with Agro-

IBIS and THMB for a domain encapsulating the Midwest US and the MARB. On average,

throughout the domain miscanthus used more water than any existing land cover, and

switchgrass used more water than most. Miscanthus and switchgrass had higher WUE than

maize throughout the region, especially when belowground carbon stored in the roots was

considered. Due to increases in water use, there were reductions in runoff and streamflow in the

MARB for both miscanthus and switchgrass that depended on the fractional crop coverage, with

miscanthus having a larger impact than switchgrass. Differences in streamflow were largest

when miscanthus replaced current crops in the driest portions of the MARB with miscanthus

causing up to 6% reduction in streamflow at the highest replacement levels. Conversely

differences in DIN export were more evenly distributed across the basin, with reductions up to

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25% in some rivers in the highest replacement scenarios. Compared to streamflow, reductions in

DIN export from the MARB to the Gulf of Mexico were several times larger depending on the

fertilization application rates. These results suggest that global change and land-use-change for

bioenergy production in the Midwest will alter the agro-ecosystem fluxes of carbon, water, and

nitrogen that are key drivers of water related agro-ecosystem services.

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DEDICATION

I dedicate this Dissertation to my daughters, Raegan and Harlow.

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ACKNOWLEDGEMENTS

This work and the knowledge and experience gained throughout the process simply

would not have been possible without a large support net of fellow graduate students,

undergraduate students, lab members, postdocs, advisers, faculty, staff, community members,

family and friends. Many of those who have helped me along fall into several of these

categories, making this process as enjoyable as it was educational. Certainly it is not uncommon

that I benefitted from a community of unselfish supporters, however, what is uncommon is the

level and essential nature of your support. I wish to thank my wife Sarah for her many years of

patience, love and support from undergraduate through Ph.D. You stood by my side, all the

while raising two little girls and going to school yourself, thank you. For Sarah and me, raising

two children who were born during this process has presented some trying challenges. Without

the remarkably unselfish and well informed actions, patience, and guidance concerning the entire

process inside and outside of the lab from my adviser, Carl Bernacchi, I clearly would not have

been able to achieve success while maintaining an appreciable level of comfort and sanity, thank

you. Also critical to this process was the unselfish assistance of many of my peers including

Courtney Leisner, Anna Locke, Becky Slattery, Pam Hall, Katie Richter, Sarah Campbell and

Christina Burke who often watched my daughters for no compensation. While the support from

my family was a major encouraging and much appreciated factor throughout this process, the

proximity of a strong group of local support was truly necessary. Outside of the lab, friends and

members of the community have chipped in to literally put a roof over my families head and

food on our table. I would like to thank the Heiser family, the Parkers, Randy, George Hickman,

and Tom Workoff for helping make my house a home.

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I would like to thank David Kristovich and Tracy Twine who were key supporters very

early in my career path, and have continued to offer support throughout the years. On campus, I

benefitted from a level of interaction with many scientific role models. From coffee

conversations with Steve Huber, Steve Long, and Steve Nesbitt to water fountain chats with Bob

Rauber, Lisa Ainsworth and Katy Heath, and after-class discussions with Allison Anders, Donna

Charlevoix, Greg McFarquhar, Don Bullock; to “Friday-noon” seminar and “Happy Hour”

discussions with Joan Huber, Don Ort, Evan DeLucia and a large cohort of intelligent and

inspiring graduate students; and everywhere in between, your advice on the scientific method

and the intangibles of being a scientist has been indispensable. Off campus, I was fortunate to

have an adviser encouraged and facilitated interactions with a number of scientists, including

Christopher Kucharik, Simon Donner, Peter Snyder, Russell Monson, and Dennis Baldocchi. In

the office, I could not have completed my duties without the patience and support of staff

members Becky Heid, Shirley Palmisano, Nena Richards, Tammy Warf and especially Melinda

Laborg. In the lab, the daily interactions, input and advice from Marcelo Zeri, Ursula Ruiz-Vera,

Justin Bagley, Mir Zaman Hussain, Nuria Gomez-Casanovas, Tom Hayes, and Jesse Miller were

critical in finding my path to becoming a scientist. I would also like to acknowledge the key

insight and support from my committee members, Donald Wuebbles, Steve Nesbitt, Steve Long,

and my adviser Carl Bernacchi. In the field, I could not have carried out my research without the

selfless assistance and attention to detail from David Drag as well as long trips and at times

extreme conditions endured by Kyle Dawson, Alex Crisel, Gary Letterly, Aaron Letterly and

Jesse Miller. Overall I am tremendously fortunate to have benefitted from the interactions with a

vibrant and inspiring scientific and public community, thank you.

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TABLE OF CONTENTS

CHAPTER 1: GENERAL INTRODUCTION .............................................................................. 1

1.1 Introductory statement........................................................................................................... 1

1.2 Background ........................................................................................................................... 4

1.3 Literature Cited ..................................................................................................................... 9

1.4 Figures ................................................................................................................................. 14

CHAPTER 2: INCREASING OZONE CONCENTRATIONS DECREASE SOYBEAN

EVAPOTRANSPIRATION AND WATER USE EFFICIENCY WHILE INCREASING

CANOPY TEMPERATURE ........................................................................................................ 16

2.1 Abstract ............................................................................................................................... 16

2.2 Introduction ......................................................................................................................... 16

2.3 Materials and Methods ........................................................................................................ 19

2.4 Results ................................................................................................................................. 23

2.5 Discussion ........................................................................................................................... 26

2.6 Literature Cited ................................................................................................................... 29

2.7 Tables and Figures .............................................................................................................. 33

CHAPTER 3: A REGIONAL COMPARISON OF WATER USE EFFICIENCY FOR

MISCANTHUS, SWITCHGRASS AND MAIZE ....................................................................... 40

3.1 Abstract ............................................................................................................................... 40

3.2 Introduction ......................................................................................................................... 41

3.3 Methods ............................................................................................................................... 44

3.4 Results ................................................................................................................................. 49

3.5 Discussion ........................................................................................................................... 53

3.6 Literature Cited ................................................................................................................... 60

3.7 Tables and Figures .............................................................................................................. 68

CHAPTER 4: WATER QUALITY AND QUANTITY IN THE CONTEXT OF LARGE-SCALE

CELLULOSIC BIOFUEL PRODUCTION IN THE MISSISSIPPI-ATCHAFALAYA RIVER

BASIN........................................................................................................................................... 80

4.1 Abstract ............................................................................................................................... 80

4.2 Introduction ......................................................................................................................... 81

4.3 Methods ............................................................................................................................... 86

4.4 Results ................................................................................................................................. 92

4.5 Discussion ........................................................................................................................... 98

4.6 References ......................................................................................................................... 102

4.7 Tables and Figures ............................................................................................................ 109

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CHAPTER 5: GENERAL CONCLUSION ................................................................................ 123

5.1 Summary ........................................................................................................................... 123

5.2 Future work ....................................................................................................................... 125

5.3 Literature Cited ................................................................................................................. 129

5.4 Tables and Figures ............................................................................................................ 133

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CHAPTER 1: GENERAL INTRODUCTION

1.1 Introductory statement

The Midwestern United States (Midwest US) is home to one of the largest and most

productive agro-ecosystems in the world and is a key provider of critical ecosystem services,

perhaps most paramount is nutrition to a significant portion of the growing global population

(Millenium Ecosystem Assessment, 2005; FAOSTAT, 2011). This region has been host to a

dramatic shift in land use since the mid 1800’s with the dominant change resulting from large-

scale adoption of row crop agriculture following the increasing demand for food production

(Ramankutty et al., 2008; USDA 2011). In the near future, regions across the world including

the Midwest US are likely to undergo changes to accommodate cellulosic feedstock production

to meet the growing need for sustainable, renewable energy (Sissine, 2007). In addition to land

use change, the Midwest US, along with the vast majority of regions around the world, has

undergone significant changes in climate and atmospheric composition, including temperature,

moisture and greenhouse gas (GHG) concentrations (i.e. global change) that are expected to

continue in the coming century (Wuebbles & Hayhoe, 2004; Meehl et al., 2007).

Land use change and global change interact at a range of scales in time and space through

biogeochemical cycles. By shifting the pools and fluxes of biogeochemical processes, land use

change impacts atmospheric properties including temperature, humidity, and gas composition

(Sellers et al., 1997; Foley et al., 2005; Meehl et al., 2007). In turn, changes in atmospheric

properties and composition, especially carbon dioxide and ozone concentrations ([CO2] and [O3]

respectively) can have a dramatic effect on ecosystem function and gas exchange (Long et al.,

2006; Ainsworth et al., 2012). Further, through the coupling of land-atmosphere interactions,

shifts in land use and global change have the ability to feedback on one another, especially in

continental interiors (Sellers et al., 1997).

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The cycling and availability of water and nutrients will likely be two of the most important

factors influencing the sustainability of agricultural production over the next century (Wallace,

2000; Chaves et al., 2004; Steduto et al., 2007 Oliver et al., 2009; Mueller et al., 2012).

Producing grain for human and livestock consumption is arguably the ecosystem service of most

immediate importance, but the reduction of soil carbon pools and water quality through the

leaching of nutrients is arguably the most impactful consequence of providing this service

(Rabalais et al., 1996; Matson, 1997). Given the major role water and nutrients play in the

ability of ecosystems to provide grain, it is critical to couple the assessment of ecosystem

services with water, carbon and nutrients. Therefore metrics that link ecosystem services to 1)

water and carbon such as water use efficiency (WUE) that represents the tradeoff of carbon for

water, and 2) water and nutrients, such as water quality, are of particular importance. To predict

the ability of major crop producing ecosystems such as the Midwest US to continue to provide

these essential services it is critical to understand how global change and the major shifts in land

use will impact their function.

The goal of the research within this thesis is to evaluate the impacts of cellulosic feedstock

production and increases in [O3], two key shifts in land use and global change, on agro-

ecosystem services in the Midwest US. I will focus on the impacts of these land use and global

change factors on three aspects of water-related agro-ecosystem services. These factors include

1) implications on water quantity (evapotranspiration, runoff and streamflow), 2) implications on

water quality (nutrient leaching and export), and 3) the efficiency by which is it used by plants to

derive a given amount of carbon (WUE). Three data chapters are included, each focusing on a

major aspect of the anticipated land use and global change in the Midwest US.

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Chapter 2 provides the first field-scale study of the effects of increasing [O3] on

evapotranspiration (ET) and WUE for soybeans, the second most produced Midwest crop and

third most important crop globally and the dominant oilseed crop grown in the world

(FAOSTAT, 2011). The research presented in chapter 2 has been published in the peer reviewed

international journal New Phytologist, which is plant based journal with wide scope, covering

molecular to global research on plant physiology and interactions with global change. New

Phytologist also encourages cross-disciplinary approaches, making a good fit for this study with

agronomic, physiological, and micrometeorological implications.

Chapter 3 is a comparison of ET and WUE of miscanthus, switchgrass, the two most favored

cellulosic feedstocks for production in the Midwest and maize, the current dominant bioenergy

feedstock globally and most produced crop in the Midwest, based on a number of metrics

focused on key ecosystem services The research presented in chapter 3 has been published in the

peer reviewed international journal Agricultural & Forest Meteorology, whose scope covers a

wide range of scale and techniques dealing with interactions between managed and unmanaged

ecosystems and the atmosphere. Given the large body of agronomic and flux based of research

in this journal, Agricultural & Forest Meteorology was a good fit for a study on WUE in

agricultural systems.

Chapter 4 is an assessment of the streamflow (water quantity) and nutrient export (water

quality) impacts for a range of cellulosic feedstock production scenarios in the Mississippi-

Atchafalaya River Basin, a major shipping avenue, and the source region for Gulf of Mexico

hypoxia or the “Dead Zone”, a major environmental impact of crop production (Rabalais et al.,

1996; Goolsby et al., 2001). The research in Chapter 4 is under preparation to be submitted to

journal with a very broad, interdisciplinary audience, with interest in large-scale issues with

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strong policy implications (e.g. Proceedings of the National Academy of Sciences or Nature

Climate Change). Given the high profile of these journals, it is likely that a more discipline

specific journal may be a more likely option, possible journals include Journal of

Hydrometeorology, Ecological Applications , Journal of Environmental Quality, or

Environmental Science & Technology.

Chapter 5 provides the context for the results of Chapters 2-4, and suggests future directions

for research regarding land use and global change in the Midwest US. The following sections

will outline the major impacts of land use and global change on each of these three main research

topics. As a whole, this thesis includes a unique set of experiments addressing major questions

regarding the response of water-related agro-ecosystems to key shifts in land use as well as

increasing [O3] as a result of global change. Through the integration of field-based and in silico

techniques, I show novel evidence that there is a significant potential for interactions between

ecosystems, the climate system, and the services they provide. Through this process I develop

the framework to support the argument that this body of research is worthy of a Ph.D.

Dissertation.

1.2 Background

1.2.1 Global Change and Midwest Agriculture

Human activity has significantly altered the composition and physical properties of the

atmosphere (Meehl et al., 2007). In the context of agriculture, changes to moisture, temperature,

[CO2] and [O3] in the troposphere are of particular relevance because they each directly affect

the rate at which CO2 is fixed from the atmosphere via photosynthesis and water is exchanged

via ET (Long, 1991, Long et al., 2006; Bernacchi et al., 2007, 2011; Ainsworth et al,. 2008,

2012; and references therein). Given the large number of potential interactions among factors, it

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is necessary to isolate the response of plants to global change and the effect it has on land-

atmosphere interactions to minimize confounding factors. Further, there are major physiological

differences amongst vegetation types that will dramatically affect their response to these factors,

thus each of the major crops must be studied independently. Here I focus on global change in

the context of increasing [O3], which is the most impactful atmospheric pollutant in terms of

direct impacts on vegetation (US EPA, 2006), and soybean is the crop most affected by O3 in the

Midwest (Van Dingenen et al., 2009).

Tropospheric O3 formation is the result of photochemical reactions that are primarily

dependent on the anthropogenic emission and balance of the concentrations of nitrogen oxides

(NOx) and volatile organic compounds (VOCs) as well as temperature (Sanderson et al., 2003).

Since the onset of the industrial revolution, [O3] in the lower atmosphere has increased

dramatically, with background concentrations rising from ca. 10 ppb (parts per billion) in the

pre-industrial atmosphere, to concentrations greater than 40 ppb commonly occurring during the

daytime in the Northern Hemisphere in recent decades (Volz & Kley 1988; Fowler et al., 1999,

2008). Ozone is a potent GHG, with significant direct effects on the global radiative forcing

(Meehl et al., 2007). In addition to the direct radiative effect, O3 indirectly affects global

radiative balance by reducing the uptake of carbon via photosynthesis, decreasing terrestrial net

primary production, and resulting in a higher global [CO2] (Sitch et al., 2007; Ainsworth et al.,

2012). Future projections of [O3] vary widely globally and depend on emission scenarios;

however, occurrences of high O3 episodes are expected to increase in many regions (Lei et al.,

2012).

Upon entering the leaf via the stomata, O3, at daytime concentrations that commonly

occur in rural regions such as the Midwest US, inhibits photosynthetic uptake of CO2 (US EPA,

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2006; Van Dingenen et al., 2009; Ainsworth et al., 2012). This is due to a number of factors

including oxidative damage to biological surfaces, biochemical reactions and plant stress

signaling, reduced stomatal conductance and photosynthetic uptake, decreased leaf area and

canopy duration of active growth (Morgan et al., 2003; Morgan et al., 2006; Ainsworth et al.,

2012). In addition to influencing the exchange of CO2, these O3 effects can also affect the flux of

water vapor (Bernacchi et al., 2011). In continental interiors such as the Midwest US, the flux of

water vapor from vegetation, i.e. ET, can have a significant impact on the regional climate

(Sellers et al., 1997; Berry et al., 2010; Georgescu et al., 2011). While numerous aspects of crop

responses to O3 have been investigated by a large body of research over the past several decades,

to date there is limited research and significant uncertainty concerning the effect of increasing

[O3] on fluxes of water in crops (Bernacchi et al., 2011). Data are particularly limited for the

crop response to O3 grown under open air field conditions. While the Midwest landscape is

dominated by corn and soybean production, the response of soybean to O3 is expected to be more

significant than maize, with large-scale reductions in soybean yield already being documented

(Van Dingenen et al., 2009). Soybean is more likely to be sensitive to O3 than maize due to a

key difference in physiology; soybean employs the C3 photosynthetic pathway, which is

characterized by higher stomatal conductance relative to C4 crops such as maize, decreasing the

resistance to inter-and extra cellular gas exchange and consequently a greater uptake of O3. To

address this key gap in knowledge, the focus of this study is to quantifying changes in [O3] on

canopy scale fluxes of water vapor in soybean and the resulting impact on WUE.

1.2.2 Land-use-change and Midwest Agriculture

Prior to settlement of the US, the Midwest US landscape was dominated by mixed

grassland prairies and woodlands (Ramankutty & Foley, 1998). Along with westward

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expansion, a large fraction of land across the Midwest US was transitioned to annual row crops

(Ramankutty et al., 2008). Row crop expansion was then accompanied by agricultural

intensification following “the Green Revolution” beginning in the 1960’s to meet the nutritional

demand of the exponential global population growth (Matson et al., 1997). The majority of the

current 300 million plus acres of US croplands are cultivated within the Mississippi-Atchafalaya

River Basin (MARB) which encompasses most of the Midwest US, and the US Corn Belt

(Lubowski et al., 2006; USDA, 2011). As a result of this massive shift in land use and

management, the regional biogeochemical and global cycles of water, carbon, and nitrogen have

been significantly altered relative to the pre-settlement land cover (Matson et al., 1997;

Houghton, 2003; Twine et al., 2004; Donner et al., 2004; Foley et al., 2005). Key examples of

the biogeochemical changes include the reduction of soil organic carbon pools due to tillage in

annual row crop production (Matson et al., 1997; Tilman et al., 1998), increases in sub-surface

drainage due to a shortened growth period relative to natural ecosystems (Twine et al., 2004),

increases in overland runoff and soil erosion during the fallow period (Montgomery, 2007) and

the increased leaching of nutrients applied as fertilizer through the MARB to be exported to the

Gulf of Mexico (Donner et al., 2004).

Now and into the future, the combined need to derive ecosystem services from

agricultural lands, including the sequestration of carbon in soil, improving water quality, and

producing enough biomass to both feed and fuel society, demands an improved strategy (Foley et

al., 2005). Numerous potential options exist, and the ideal option for any given location will

depend on a wide range of climatic, ecological, biogeochemical, social and economic factors

(Tilman et al., 2009; Somerville et al., 2010). The Midwest US has drawn significant attention

lately as a region with significant potential to improve ecosystem services through the production

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of cellulosic feedstocks for renewable energy, without changing the production of maize grain

for feed (Heaton et al., 2008; Davis et al., 2012). While returning Midwest cropland to prairies

would likely increase soil carbon sequestration and potentially improve water quality by

reducing the inputs and leaching of nitrogen fertilizer (Foley et al., 2005; Tilman et al., 2006), it

is unlikely that this land use strategy would be able to simultaneously, if at all, provide sufficient

biomass to meet the demand for energy and food production (Heaton et al., 2008; Somerville et

al., 2010). Another option is to harvest the cellulosic biomass in corn stover and/or to intensify

the production of maize (Sheehan et al., 2003). However ca. 40% of harvested grain is already

used for ethanol (Figure 1.1). This factor coupled with concerns about soil quality and erosion,

increased nutrient requirements and the resulting nutrient leaching, greater GHG emissions, and

the perception of using a food crop for energy all challenge this strategy (Donner et al., 2004;

Hill et al., 2006; Donner & Kucharik, 2008; Tilman et al., 2006, 2009; Anderson-Teixeira et al.,

2009; Blanco-Canqui & Lal 2009; Somerville et al., 2010; Powers et al., 2011). As a

consequence of the environmental impacts associated with increasing maize production to meet

cellulosic targets, the Environmental Protection Agency in the Renewable Fuels Standard 2

(RFS2) has capped the amount of ethanol to be derived from corn grain near current levels, and

requires that an increasing portion of renewable fuels be produced from cellulosic feedstocks

(Figure 1.2; EPA, 2010).

The cellulosic feedstock option that has received arguably the most attention for the

Midwest US, is to use high yielding, low fertilizer input, perennial rhizomatous grasses, with the

primary focus being on two candidate species, Panicum virgatum L. (switchgrass) and

Miscanthus × giganteus (miscanthus; e.g. Heaton et al., 2004, 2008, 2010; Somerville et al.,

2010). It has been shown that the RFS2 goal could be met with significantly lower land

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requirements if miscanthus were used rather than switchgrass or maize (Heaton et al., 2008;

Miguez et al., 2011; Davis et al., 2012; Mishra et al., 2012). One of the key environmental

tradeoffs associated with these feedstocks is the balance between their high biomass productivity

and water use, relative to maize (Wallace, 2000; Jackson et al., 2005; Hickman et al., 2010;

Somerville et al., 2010). Therefore it is important to assess the potential ecosystem services

associated with transitioning to these crops, including increasing water use efficiency (WUE)

and water quality, (nutrient export) within the context of sustaining the availability of water

(streamflow) in the region (Rowe et al., 2009; NRC 2008, 2011).

1.3 Literature Cited

Ainsworth EA, Yendrek CR, Sitch S, Collins WJ, Emberson LD. 2012. The effects of

tropospheric ozone on net primary productivity and implications for climate change.

Annual Review of Plant Biology, 63:637–661.

Anderson-Teixeira KJ, Davis SC, Masters MD, DeLucia EH. 2009. Changes in soil organic

carbon under biofuel crops. Global Change Biology Bioenergy, 1:75-96.

Bernacchi CJ, Kimball BA, Quarles DR, Long SP, Ort DR. 2007. Decreases in stomatal

conductance of soybean under open-air elevation of [CO2] are closely coupled with

decreases in ecosystem evapotranspiration. Plant Physiology, 143:134–144.

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1.4 Figures

Figure 1.1. The percentage of total US harvested maize grain used for ethanol production. Data

source United States Department of Agriculture Economic Research Service.

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Figure 1.2. The distribution of renewable liquid fuel production mandated by the Environmental

Protection Agency’s Renewable Fuels Standard 2.

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CHAPTER 2: INCREASING OZONE CONCENTRATIONS DECREASE SOYBEAN

EVAPOTRANSPIRATION AND WATER USE EFFICIENCY WHILE INCREASING

CANOPY TEMPERATURE1

2.1 Abstract

This research investigated the effects of increasing concentrations of ozone ([O3]) on soybean

canopy scale fluxes of heat and water vapor as well as water use efficiency (WUE) at the

Soybean Free Air Concentration Enrichment (SoyFACE) facility. Micrometeorological

measurements were made to determine the net radiation (Rn) sensible heat flux (H), soil heat flux

(G0), and latent heat flux (λET) of a commercial soybean cultivar (Pioneer 93B15), exposed to a

gradient of eight daytime average ozone concentrations ranging from current levels (ca. 40 ppb)

to three times current (ca. 120 ppb). Results indicated that as [O3] increased from the lowest to

highest level, soybean canopy λET declined and H increased, while Rn and G0 were not

significantly altered. Exposure to increased [O3] also resulted in warmer canopies especially

during the day. The decline of λET decreased season total evapotranspiration (ET) by

approximately 26%. The [O3]-induced relative decline in ET was half that of the relative decline

in seed yield, driving a 50% reduction in seasonal Water Use Efficiency (WUE). These results

suggest that rising [O3] will alter the canopy energy fluxes that are drivers of climate and

hydrology and negatively impact productivity and water use efficiency, key ecosystem services.

2.2 Introduction

The concentration of tropospheric ozone ([O3]) has approximately doubled since the start

of the industrial revolution and is projected to continue increasing through the 21st century

(Royal Society, 2008). In addition to being a potent greenhouse gas, O3 is highly reactive and

can impose damage to any sensitive biological surfaces with which it comes into contact. O3 is

considered the most significant air pollutant that has direct impacts on vegetation; damage for

many species becomes apparent at concentrations well below levels considered dangerous for

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human health (ca. 40 parts per billion volume; ppb; US EPA, 2006; Ainsworth et al., 2012).

Concentrations above 40 ppb are commonly experienced by vegetation (Fowler et al., 1999;

Morgan, et al., 2006) and as a result there is clear evidence that O3 is already impacting

negatively the growth, physiology, and yields of major food crops (Bergmann, et al., 1999; Feng,

et al., 2003, 2010; Morgan, et al., 2003; Timonen, et al., 2004; Fiscus, et al., 2005; Ainsworth,

2008; Betzelberger et al., 2010; Fishman, et al., 2010). Yield losses present challenges to global

food security, particularly as the global population increases beyond seven billion people.

Meanwhile O3–induced damage is predicted to already be decreasing the global value of crop

production by $10 billion annually (Van Dingenen et al., 2009).

Crops dominate the area of arable land globally and contribute a significant fraction of

terrestrial carbon exchange; therefore, the impact of elevated [O3] on crop biomass productivity

can influence the global carbon cycle (Sitch et al., 2007; Ainsworth et al., 2012). The responses

of crops to elevated [O3] extend beyond the assimilation of carbon into growth and yields. The

energy available to an ecosystem is the net value of incoming and outgoing solar and terrestrial

radiation (Sellers et al., 1997), and sensible and latent heat fluxes dominate the influence of

vegetation on climate. While the stomata respond to the microenvironment surrounding the leaf,

they are responsible for moderating fluxes of matter and the partitioning of energy into and out

of an ecosystem. Through the physiological control of stomata, plants have a large impact on

climate; this is particularly true in continental interiors typical of most major crop producing

areas (Sellers et al., 1997; Berry et al., 2010). Thus, the response of major crops to elevated [O3]

can alter substantially the local, regional, and global carbon and hydrologic cycles and

potentially provide a positive feedback on warming and/or drying of the planetary boundary

layer.

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The soybean-maize agro-ecosystem dominates the Midwestern US landscape and is the

largest ecosystem in the contiguous US. Therefore O3-induced decreases in productivity and

evapotranspiration of soybean could impact the regional climate and hydrologic cycle in the

Midwestern US, particularly since this agriculturally productive area is located within a

continental interior. There are many physiological responses that occur when vegetation is

grown in elevated [O3] that relate directly to latent heat flux (λET). For example, growth in

elevated [O3] can lower stomatal conductance (gs; Morgan et al., 2003), decrease biomass

allocation to roots (Andersen, 2003), and slow the control of gs to changes in the leaf

microenvironment (Wilkinson & Davies, 2010; Fiscus et al., 2012). Although stomatal

responses are known to influence larger scale processes (Berry et al., 2010), evidence of elevated

[O3] impacts on λET for crops grown under open-air conditions are scarce. The previous chamber-

based [O3] experiments do not maintain a natural microenvironment between the plant canopies

and the atmosphere or within plant canopies, which makes interpretation of ozone-induced

effects on λET difficult (Elagoz & Manning 2005). However, in a previous Soybean Free Air

Concentration Enrichment (SoyFACE) elevated [O3] (22 -- 37% above background) grown

soybean had evapotranspiration rates that were 11 -- 13% lower for four out of five growing

seasons each with different climatic conditions (Bernacchi et al., 2011). It was hypothesized that

the year with no O3-induced reduction in λET was an inherently low [O3] year and concentrations,

even with ca. 30% increase in [O3] above background, did not impose enough damage to induce

a response.

This study addresses the impacts on canopy fluxes for soybean grown under uniform

climate and exposed to multiple [O3] in an exposure-response experiment. To reduce uncertainty

associated with previous open-air ozone experiments (e.g. McLaughlin et al., 2007), it is

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important to isolate the impacts of [O3] from other climate variables that may impact canopy

fluxes (e.g. vapor pressure deficit). This experiment is the first to quantify canopy scale

responses of vegetation to multiple [O3] under open air conditions, providing a unique

opportunity to isolate the [O3] response of key fluxes with direct implication on regional scale

hydrology and climate.

The primary objective of this study was to 1) determine the concentrations at which

soybean λET is sensitive to O3, and whether decreases in λET are linked with the concentration of

O3. If the amount of O3 exposure has an additive effect on decreasing λET, then a negative

correlation between O3 exposure and λET should be observed. Because λET and carbon gain are

directly linked, an additional objective of this study was to 2) determine whether an increase in

O3 has an impact on the amount of harvestable yield relative to the cumulative amount of water

lost through evapotranspiration over the growing season (Harvest WUE; e.g., Hickman et al.,

2010; VanLoocke et al, submitted). In previous SoyFACE studies, it was shown that the relative

decrease in seed yield (Morgan et al., 2006) was greater than the relative decrease in growing

season cumulative evapotranspiration (ET; Bernacchi et al., 2011), therefore I predict that the

Harvest WUE in my experiment will decrease with increasing [O3].

2.3 Materials and Methods

2.3.1 Site description

This research was conducted at the SoyFACE research facility located on the University

of Illinois research farm (40.04 N, 88.24 W). The SoyFACE facility is situated in a 32 ha field

where soybean (Glycine max (L.)) and maize (Zea mays) each occupy half of the field and are

rotated annually as is typical for Midwestern agriculture. Within this field there are experimental

plots that are 20 m in diameter. For this experiment, plots consisted of various different soybean

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cultivars planted in 5.4 m long by 8 row wide subplots. Row spacing was on 0.38 m centers.

Micrometeorological sensors were placed on the side of the plots planted with G. max (L.) Merr.

cv Pioneer 93B15 and situated so that the solar sensors were centered within each plot with the

vertical mounting mast directly north to prevent shading. The cultivar chosen for this study is a

cultivar commonly grown in commercial agriculture in the Midwestern US and is the same

cultivar used for previous analyses of yield (Morgan et al, 2006) and evapotranspiration

(Bernacchi et al., 2011) at SoyFACE. Other information including agronomic practices

employed at SoyFACE and a complete description of the field site have been described

previously (e.g., Bernacchi et al., 2005; Morgan et al., 2005; Bernacchi et al., 2006).

Ozone concentrations were monitored continuously throughout the season using an O3

analyzer (model 49C O3 analyzer; Thermo Environmental Instruments, Franklin, MA, USA;

Morgan et al., 2004) located in the center of the plot and directly adjacent to the cultivar used in

this study. The central location of the 93B15 cultivar plots within the larger SoyFACE plots as

well as location where [O3] was monitored were identical in all plots. The O3 analyzers in all

plots were calibrated yearly (calibration USA EPA Equivalent Method EQQA-0880e047, range

0 – 0.05 – 1.0 ppm; Morgan et al., 2006). The experimental design consists of eight individual

plots each with different O3 set points (Table 1). The target [O3] for each plot was established

prior to the initiation of the experiment and the system was set to target these concentrations

regardless of background [O3]. The fumigation system was based on Miglietta et al. (2001) and

was on only during the day between the hours of 10 am and 7 pm central daylight savings time

and only when the leaves were dry. These criteria resulted in seasonal increases lower than the

set points (Table 1).

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2.3.2 Micrometeorological measurements

I used a residual balance approach to determine λET by calculating latent heat flux (W/m2)

using sensible heat flux, soil heat flux and net radiation based on the equation:

Eq. 1

where Rn (W/m2) is net radiation, G0 is the soil heat flux (W/m

2), and H is the sensible heat flux

(W/m2). This method has been described for plots at SoyFACE (Bernacchi et al., 2007; 2011)

and in nearby short- and tall-grass plots (Hickman et al., 2010) and was developed and validated

previously (Huband & Monteith, 1986; Jackson et al., 1987; Kimball et al., 1994, 1995, 1999;

Triggs et al., 2004). The residual energy balance approach to determine λET is effective in

obtaining quantitative estimates of λET (Kimball et al., 1999) and is the only non-enclosure-based

technique suitable for the scale of FACE experiments. Although this method neglects a variety

of other potential fates for the energy entering the ecosystem, such as photosynthesis, respiration

and heat storage within the canopy, these factors have been shown to be negligible relative to

those included in this analysis (Meyers & Hollinger, 2004) and are not included.

Measurements were collected in 10 s intervals and averaged over 10 min periods

throughout the growing season from planting until harvest using microloggers (CR1000

Microloggers, Campbell Scientific, Logan, Utah USA). Net radiation was measured using

single-channel net radiometers (Model Q*7; Radiation and Energy Balance Systems (REBS),

Inc., Seattle, WA USA) which were regularly repositioned to be 0.5 m above the crop canopy. A

cross-calibration was performed prior to the growing season as described previously (Bernacchi

et al., 2007; 2011). Soil heat flux measurements were collected using one soil heat flux plate per

plot (Model HFT-3, REBS, Inc.) buried at 10 cm depths at one-quarter spacing from center row

and included the heat storage in soil above each heat flux plate as described by Kimball et al.

(1994).

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The sensible heat flux was calculated as:

Eq. 2

where ρa is the density of air (kg/m3), cp the heat capacity of air (J kg

-1 °C

-1), Tc and Ta the

canopy surface and air temperatures (°C), respectively, and ra the aerodynamic resistance (s/m).

Air temperature was measured using a thermistor (Model 107, Campbell Scientific, Inc.)

mounted in a radiation shield (Model 41303-5A Radiation Shield, Campbell Scientific, Inc.)

located in the center of the field. Surface temperatures were measured using infrared

radiometers (IRR-P, Apogee Instruments, Inc., Logan, UT, USA) mounted on the North end of

the plot facing South at a 25° angle from vertical. Canopy surface temperatures in this case

include both leaf and soil surface temperatures when soil was exposed. The infrared radiometers

were calibrated before each growing season as described previously (Triggs et al., 2004).

Aerodynamic resistance was calculated based on a previously described model (Jackson et al.,

1987; Kimball et al., 1994, 1999; Triggs et al., 2004) that relies on wind speed (Model 12102D,

R.M. Young Company, Traverse City, Michigan, USA), Ta, Tc, dew point temperature, and

canopy height. Canopy height was measured in regular intervals throughout each season and

upon the completion of the experiment was fitted to a sigmoidal function. Additional

meteorological measurements were collected as described previously (VanLoocke et al., 2010).

2.3.3 Yield Measurements

Seed yield was measured following complete senescence of the soybean after the pods

matured and dried based on typical agronomic practices. The harvested area in each plot was

11.2 m2. The middle six of the eight rows in the cultivar studied was used in measuring harvest.

Of the 5.4 m of each row, the middle 4.9 m was carefully removed from the plots and the seeds

were removed and weighed.

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2.3.4 Data Analysis

Micrometeorological data for each plot were collected in 10-minute intervals throughout

the growing season and analyzed using MATLAB (R2011b; The MathWorks, Inc., Natick,

Massachusetts, U.S.A.). The mean daily [O3] were based on averaging the measured [O3] for

each plot over the nine-hour period of fumigation described above. Cumulative O3 exposure

above 40 ppb (AOT40) and greater than or equal to 60 ppb (SUM06) was calculated based on

mean hourly [O3] during the entire 24 hour period as described previously (Mauzerall &Wang,

2001; Morgan et al., 2006). A regression analysis (SigmaPlot 12.2; Systat Software, Inc., San

Jose, CA USA) was used to test whether the slope of a dependent variable (e.g., canopy

temperature, latent heat flux) differs statistically (p < 0.05) from zero with changing [O3].

Independent variables (i.e. ET, H, G0, Tc, and Rn) were averaged over the growing season to

provide one mean value for each plot, with the exception of canopy temperature, in which both

mid-day mean (10:00 am to 2:00 pm) and daily mean were analyzed separately. Total ET (mm)

was calculated by integrating the latent heat flux (W/m2) over the total period of measurement

(day of year 191 to 269) and dividing by the latent heat of vaporization (λ; J/kg). Harvestable

WUE [(kg/ha)/(mm)] is the ratio of total harvested seed biomass (kg/ha) to total water use (mm).

2.4 Results

The 2009 growing season was characterized by relatively cool mean season temperatures

(May to September mean of 19.6 °C) compared with 1970-2010 mean of 20.6 °C based on the

MRCC Applied Climate System (MACS) operated by the Midwestern Regional Climate Center,

Illinois State Water Survey (http://mrcc.isws.illinois.edu/). Daily air temperatures, total solar

radiation, and vapor pressure deficits were variable throughout the growing season (Figure 2.1).

Precipitation over the growing season was 491 mm compared with the 1970 – 2010 mean of 480

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mm, however, the distribution was highly variable with a 23 day period late in the season in

which only ca 5 mm of precipitation fell.

Despite daily variability, the fumigation resulted in a gradient in mean seasonal [O3] over

the eight plots that ranged from 38 to 116 ppb (Table 2.1). The number of days in which ozone

was applied to each plot varied based on treatment. For example, the lowest [O3] treatment

required less fumigation because background [O3] was frequently at similar concentrations to the

target. On the other hand, the highest ozone treatment had a shorter growing season due to

increased rates of senescence. Despite this variability, when the fumigation occurred, the quality

of control was similar for all plots except the highest [O3] treatment where the 1 minute averaged

were within 20% of the control only 67% of the time (Table 2.1). The cumulative values

reflected in the AOT40 and SUM06 indices indicated an overall gradient in the treatment (Figure

2.2). The reversal in AOT40 between the 160 and 200 ppb treatments (Figure 2.2) resulted from

over-fumigation in the 160 ppb plot and short-lived technical issues in the 200 ppb plot at the

onset of this experiment.

Representative fluxes for a clear day (8/13/2009) for the lowest (40 ppb target [O3]) and

highest (200 ppb target [O3]) plots showed distinct differences associated with Tc and the major

fluxes (Figure 2.3). The Tc in the lowest and highest [O3] plots were relatively similar during the

night however, midday Tc for the high [O3] plot are more than 2 °C warmer than the lowest

treatment. Differences in net radiation (Rn) were negligible at night and differences of less than

20 W/m2 were observed during the day. Sensible heat flux (H) showed the biggest difference

during the day where the highest [O3] plot had 40 W/m2 higher H relative to the lowest [O3] plot.

No appreciable differences in soil heat flux (G0) were observed. Together, the three measured

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fluxes lead to lower calculated latent heat flux (λET) in the highest [O3] plot relative to the lowest

(Figure 2.3).

Seasonal mean Tc increased linearly with [O3] (Figure 2.4). A linear regression showed

that for each ppmh increase in AOT40, which in this study was nearly identical to a 1 ppb

increase in seasonal mean [O3] (Figure 2.4), seasonal mean Tc increased by 0.015°C and mid-day

increases were double those determined using the whole day (Figure 2.4). The regressions for Tc

calculated using the 24-hour data (F1,6 = 18.42, p = 0.0051) and using the midday values (F1,6 =

27.42, p = 0.0019) were statistically different from zero. Seasonal mean H also increased

linearly with rising [O3] with a slope that differed significantly from zero (F1,6 = 23.22, p =

0.0029). Neither G0 nor Rn showed any observable relationship with [O3] (Figure 2.4).

However, due to the inherent variability associated with a level-sensitive sensor, there was

relatively large variability over the growing season of ca 25 W/m2 for average Rn from the lowest

to the highest mean value. Because of the variability associated with Rn, and the importance of

this variability on the estimation of season-long ET, the [O3] plot in which Rn most closely

represented the mean Rn for all plots (plot 8, mean [O3] of 58 ppb) was used for further analysis.

Visualization of the variables that were sensitive to [O3] over the diurnal time course

showed that the gradients in H, λET, and Tc were dominant over the daylight period and little or

no differences were observable at night (Figure 2.5). The ratio of H to λET, defined as the Bowen

ratio (β), showed a significant repartitioning of upward energy fluxes away from λET and toward

H during the day (Figure 2.5). Because H and λET approach zero during the evening, β is

susceptible to large oscillations from large positive to large negative, therefore, the scale

presented is limited to from -0.5 to 0.5 to emphasize the ratio when fluxes were relatively large.

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Total water use declined linearly with [O3] (F1,6 = 18.6, p = 0.005) with the highest [O3]

treatment using ca 26% less water than the lowest [O3] treatment (Figure 2.6). Harvested seed

yield declined sharply (F1,6 = 371.9, p < 0.0001) showing ca 64% reduction in yields in the

highest [O3] treatment relative to the lowest treatment (Figure 2.6). Thus, WUE decreased

linearly (F1,6 = 124.9, p < 0.0001) with [O3] with the WUE ca 50% lower in the highest [O3] plot

relative to the lowest.

2.5 Discussion

This study demonstrated that soybean canopy evapotranspiration and yield decreases

linearly whereas sensible heat flux and canopy temperature increases linearly as [O3] rises.

These results build upon a previous experiment in which soybean was grown in elevated [O3]

over five different growing seasons (Bernacchi et al., 2011). The previous experiment increased

[O3] to a set point that ranged across all growing seasons from 22 to 37% above the variable

background ozone concentrations with season means ranging from 46 to 68 ppb (Bernacchi et

al., 2011). In the previous study, four out of five seasons the moderate increase in [O3] decreased

canopy evapotranspiration. In the current study, eight plots of soybean were each grown under

different concentrations of [O3] within one growing season with as little variability in

concentrations within and between days as possible. Thus, here I were able to isolate the

consequences of rising [O3] from variation in climatic variables, variation in planting date, day-

to-day variation in [O3], and crop management.

The regression analysis for ET indicated that for each ppmh increase in AOT40, or

approximately each ppb increase in season mean [O3], season integrated ET decreases by 1 mm.

The [O3] response observed in the current study appears to be very similar to that observed

previously (Bernacchi et al., 2011) however, this study shows considerably less variability (r2 =

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0.76) relative to the previous study (r2 = 0.23; Figure 2.6). Because the current study focuses on

soybean grown under different [O3] with identical management and climatic conditions, the

climate-induced variability is not confounded with treatment responses as in previous studies. It

also suggests that variability in [O3] drives significant changes in ET and perhaps in local and

regional hydrological cycles.

The decrease in ET with rising [O3] likely resulted in increased soil moisture which has

been observed to maintain ET in FACE experiments (Bernacchi et al., 2007; 2011). Soil

moisture was not measured for this experiment, however, there was no observable evidence that

ET was maintained by increased soil moisture in the higher [O3] plots. This may be due to

decreases in root growth with elevated [O3] (e.g., Blum & Tingey 1977; Andersen, 2003)

limiting the ability of soybean to uptake soil water regardless of the moisture availability.

Another explanation is that accelerated senescence (Morgan et al., 2006) in the highest [O3] may

have negated the effect of greater soil moisture on ET.

The decline in ET associated with increasing [O3] was accompanied by an increase in

canopy temperatures (Figure 2.4). The differences in Tc was dominated by day-time

temperatures (Figure 2.5), however while relatively small, there were observed increases in soil

temperature during the night (data not shown). This increase in night temperatures is consistent

with previous results (Bernacchi et al., 2011) and is likely driven by increased solar radiation

absorption by soil due to lower total above-ground biomass providing less shading. While the

effect of higher Tc at night has little or no impact on λET, there are potential impacts, as with

higher day temperatures, on ecosystem function related to soil respiration as well as feedbacks

between vegetation and regional climate.

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Ozone is already causing reduced yields in many crop species (Bergmann et al., 1999;

Feng et al., 2003,2010; Morgan et al., 2003; Timonen et al., 2004; Fiscus et al., 2005; Karlsson et

al., 2005; Wang et al., 2007; Ainsworth, 2008; Betzelberger et al., 2010, Fishman et al., 2010;

Ainsworth et al., 2012), but it is difficult to determine how much current rates of water use might

be influenced by current tropospheric [O3] (McLaughlin et al., 2007). My analysis indicates that

increasing [O3] beyond 40 ppb will cause a linear decrease in ET and the decrease in soybean

seed yield is accelerated relative to ET. As a result an almost a 50% reduction in WUE was

observed from the lowest to the highest treatment. Because the losses in seed yields exceeded

the decrease in ET there are consequences to the ecosystem services beyond lost productivity

including reductions in WUE. The results also support the selection of soybean cultivars with

high water use efficiency not just as an adaptation to drought, but perhaps as an adaption to

rising [O3]. Whether the same observations would be made if WUE was calculated using whole

plant or total above-ground biomass is uncertain. However prior studies on soybean biomass

productivity and yields for soybean grown in elevated [O3] at SoyFACE (Morgan et al., 2006)

show no impact of [O3] on harvest index. Therefore, assuming that the total above ground

biomass responses were similar to the measured yield responses it is likely that a metric using

aboveground biomass would be similar.

The maize-soybean agro-ecosystem dominates the land use in the Midwestern US and

represents the largest continuous ecosystem type in the temperate US. The impact of

atmospheric change on the Bowen Ratio for soybean is likely to impact regional climate and

hydrology given the size and location of this ecosystem (e.g., Sellers et al., 1997). Consistent

with previous experiments (Bernacchi et al., 2011) these results suggest that future increases in

[O3] will decrease ET for soybean. Further implications of these results include changes in local

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and regional meteorological conditions through warmer surface temperatures and perturbations

to the hydrologic cycle via decreased water vapor release to the atmosphere where soybean, and

perhaps other major crops, are grown (e.g. Georgescu et al., 2011). While the implications for

hydrology and climate conditions are speculative, the results presented here provide the

foundation in which these effects can be investigated through coupled land-use/ecosystem

models to provide a more defensible estimate of the large-scale impacts of increasing [O3].

2.6 Literature Cited

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elevated carbon dioxide and elevated ozone concentration. Global Change Biology 14:

1642-1650.

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tropospheric ozone on net primary productivity and implications for climate change.

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Andersen CP. 2003. Source-sink balance and carbon allocation below ground in plants exposed

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Bergmann E, Bender J, Weigel HJ. 1999. Ozone threshold doses and exposure–response

relationships for the development of ozone injury symptoms in wild plant species. New

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Bernacchi CJ, Morgan PB, Ort DR, Long SP. 2005. The growth of soybean under free air [CO2]

enrichment (FACE) stimulates photosynthesis while decreasing in vivo Rubisco capacity.

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Bernacchi CJ, Leakey ADB, Heady LE, Morgan PB, Dohleman FJ, McGrath JM, Gillespie KM,

Wittig VE, Rogers A, Long SP, Ort DR. 2006. Hourly and seasonal variation in

photosynthesis and stomatal conductance of soybean grown at future CO2 and ozone

concentrations for 3 years under fully open-air field conditions. Plant Cell and

Environment, 29:2077-2090.

Bernacchi CJ, Kimball BA, Quarles DR, Long SP, Ort DR. 2007. Decreases in stomatal

conductance of soybean under open-air elevation of [CO2] are closely coupled with

decreases in ecosystem evapotranspiration. Plant Physiology 143:134-144.

Bernacchi CJ, Leakey ADB, Kimball BA, Ort DR. 2011. Growth of soybean at midcentury

tropospheric ozone concentrations decreases canopy evapotranspiration and soil water

depletion. Environmental Pollution, 159: 1464-1472.

Berry JA, Beerling DJ, Franks PJ. 2010. Stomata: key players in the earth system, past and

present. Current Opinion in Plant Biology, 13: 232-239.

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Betzelberger AM, Gillespie KM, Mcgrath JM, Koester RP, Nelson RL, Ainsworth EA. 2010.

Effects of chronic elevated ozone concentration on antioxidant capacity, photosynthesis

and seed yield of 10 soybean cultivars. Plant, Cell and Environment, 33: 1569-1581.

Blum U, Tingey DT. 1977. A study of the potential ways in which ozone could reduce root

growth and nodulation of soybean. Atmospheric Environment, 11:737-739.

Elagoz V, Manning WJ. 2005. Responses of sensitive and tolerant bush beans (Phaseolus

vulgaris L.) to ozone in open-top chambers are influenced by phenotypic differences,

morphological characteristics, and the chamber environment. Environmental Pollution,

136. 371-383.

Feng Z, Jin M, Zhang F, Huang Y. 2003. Effects of ground-level ozone (O3) pollution on the

yields of rice and winter wheat in the Yangtze River Delta. Journal of Environmental

Sciences-Amsterdam, 15: 360-362.

Feng Z, Pang J, Kobayashi K, Zhu J, Ort DR. 2010. Differential responses in two varieties of

winter wheat to elevated ozone concentration under fully open‐air field conditions.

Global Change Biology, 17: 580-591.

Fiscus EL, Booker FL, and Burkey KO. 2005. Crop responses to ozone: uptake, modes of action,

carbon assimilation and partitioning. Plant, Cell and Environment, 28: 997-1011.

Fiscus EL, Booker FL, Sadok W, Burkey KO. 2012. Influence of atmospheric vapour pressure

deficiet on onzone responses of snap bean (Phaseolus vulgaris L.) genotypes. Journal of

Experimental Biology, doi:10.1093/jxb/err443

Fishman J, Creilson JK, Parker PA, Ainsworth EA, Vining GG, Szarka J, Booker FL, Xu X.

2010. An investigation of widespread ozone damage to the soybean crop in the upper

Midwest determined from ground-based and satellite measurements. Atmospheric

Environment, 44: 2248-2256.

Fowler D, Cape JN, Coyle M, Flechard C, Kuylenstierna J, Hicks K, Derwent D, Johnson C,

Stevenson D. 1999. The global exposure of forests to air pollutants. Water, Air, & Soil

Pollution, 116: 5-32.

Georgescu M, Lobell DB, Field CB. 2011. Direct climate effects of perennial bioenergy crops in

the United States. Proceedings of the National Academy of Sciences, USA, 108: 4307-

4312.

Hickman G, VanLoocke A, Dohleman FG, Bernacchi CJ. 2010. A comparison of canopy

evapotranspiration for maize and two perennial grass species identified as potential

bioenergy crops. Global Change Biology – Bioenergy, 2: 157-168.

Huband NDS, Monteith JL. 1986. Radiative surface-temperature and energy-balance of a wheat

canopy. 2. Estimating fluxes of sensible and latent-heat. Boundary-Layer Meteorology,

36:107-116.

Jackson, RD, Moran MS, Gay LW, Raymond LH. 1987. Evaluating evaporation from field crops

using airborne radiometry and ground-based meteorological data. Irrigation Science 8:81-

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J, Grennfelt P. 2005. Economic assessment of the negative impacts of ozone on crop

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yields and forest production. A case study of the estate Ostads Sateri in southwestern

Sweden. AMBIO, 34:32-40.

Kimball BA, Lamorte RL, Seay R, Pinter PJ, Rokey R, Hunsaker DJ, Dugas WA, Heuer ML,

Mauney J, Hendrey GR, Lewin KF, Nagy J. 1994. Effects of free-air CO2 enrichment on

energy-balance and evapotranspiration of cotton. Agricultural and Forest Meteorology,

70:259-278.

Kimball BA, Pinter PJ, Garcia RL, LaMorte RL, Wall GW, Hunsaker DJ, Wechsung G,

Wechsung F, Kartschall T. 1995. Productivity and water use of wheat under free-air

CO2 enrichment. Global Change Biology, 1:429-442.

Kimball BA, LaMorte RL, Pinter PJ, Wall GW, Hunsaker DJ, Adamsen FJ, Leavitt SW,

Thompson TL, Matthias AW, Brooks TJ. 1999. Free-air CO2 enrichment and soil

nitrogen effects on energy balance and evapotranspiration of wheat. Water Resources

Research, 35:1179-1190.

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ozone exposure: Reconciling Science and Standard Setting in the United States, Europe,

and Asia. Annual Review of Energy and the Environment 26:237-268.

Meyers TP, Hollinger SE. 2004. An assessment of storage terms in the surface energy balance of

maize and soybean. Agricultural and Forest Meteorology, 125: 105-115.

Miglietta F, Peressotti A, Vaccari FP, Zaldei A, deAngelis P, Scarascia-Mugnozza G. 2001.

Free-air CO2 enrichment (FACE) of a poplar plantation: the POPFACE fumigation

system. New Phytologist, 150: 465–476.

Morgan PB, Ainsworth EA, Long SP. 2003. How does elevated ozone impact soybean? A meta-

analysis of photosynthesis, growth and yield. Plant, Cell and Environment, 26: 1317-

1328.

Morgan PG, Bernacchi CJ, Ort DR, Long SP. 2004. An in vivo analysis of the effect of season-

long open-air elevation of ozone to anticipated 2050 levels on photosynthesis in soybean.

Plant Physiology, 135, 2348-2357.

Morgan, PB, Bollero GA, Nelson RL, Dohleman FG, Long SP. 2005. Smaller than predicted

increase in aboveground net primary production and yield of field-grown soybean under

fully open-air [CO2] elevation. Global Change Biology, 11:1856-1865.

Morgan PB, Mies TA, Bollero GA, Nelson RL, and Long SP. 2006. Season‐long elevation of

ozone concentration to projected 2050 levels under fully open‐air conditions substantially

decreases the growth and production of soybean. New Phytologist, 170: 333-343.

Royal Society. 2008. Ground-level ozone in the 21st century: future trends, impacts and policy

implications. Science Policy Report 15/08.

Sellers PJ, Dickinson RE, Randall DA, Betts AK, Hall FG, Berry JA, Collatz GJ, Denning AS,

Mooney HA, Nobre CA, Sato N, Field CB, Henderson-Sellers A. 1997. Modeling the

exchanges of energy, water, and carbon between continents and the atmosphere. Science,

275:502-509.

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through ozone effects on the land carbon sink. Nature, 448:791-794.

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Timonen U, Huttunen S, Manninen S. 2004. Ozone sensitivity of wild field layer plant species of

northern Europe. A review. Plant Ecology, 172: 27-39.

Triggs J, Kimball BA, Pinter PJ, Wall GW, Conley MM, Brooks TJ, LaMorte RL, Adam NR,

Ottman MJ, Matthias AD, Leavitt SW, Cerveny RS. 2004. Free-air CO2 enrichment

effects on the energy balance and evapotranspiration of sorghum. Agricultural and Forest

Meteorology, 124:63-79.

U.S. EPA, 2006. Air quality criteria and related photochemical oxidants. U.S. Environmental

Protection Agency, Washington, DC. EPA/600/R-05/004aFcf, 2006.

Van Dingenen R, Dentener FJ, Raes F, Krol MC, Emberson L, and Cofala J. 2009. The global

impact of ozone on agricultural crop yields under current and future air quality

legislation. Atmospheric Environment, 43: 604-618.

VanLoocke A, Bernacchi CJ, Twine TE. 2010. The impacts of Miscanthus × giganteus

production on the Midwest US hydrologic cycle. Global Change Biology – Bioenergy, 2:

180-191.

VanLoocke A, Twine TE, Zeri M, Bernacchi CJ. 2012. A regional comparison of water use

efficiency for miscanthus, switchgrass and maize. Agricultural and Forest Meteorology,

164:82-95.

Wang X, Manning W, Feng Z, Zhu Y. 2007. Ground-level ozone in China: Distribution and

effects on crop yields. Environmental Pollution, 147:394-400.

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plant to community. Plant Cell and Environment, 33: 510-525

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2.7 Tables and Figures

Table 2.1. Target and mean (± 1 standard error) achieved ozone concentration for each plot in

the experiment.

Plot

Target [O3]

nmol mol-1

Mean [O3] achieved

nmol mol-1

% 1min mean [O3]

within 20% of target

12 40 39 ± 0.9 81.8

13 55 46 ± 1.1 76.2

2 70 54 ± 1.6 83.9

8 85 58 ± 2.3 77.1

7 110 71 ± 3.2 79.2

6 130 88 ± 3.8 79.7

9 160 94 ± 5.0 74.4

16 200 115 ± 6.5 67.0

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Figure 2.1. Daily integrated incoming solar radiation and precipitation (a) and daily mean

temperatures (closed circles) including temperature range (error bars) and daily maximum vapor

pressure deficit (VPD, grey line) (b) for the 2009 growing season at the Soybean Free Air

Concentration Enrichment (SoyFACE) research facility (Champaign, IL, USA).

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Figure 2.2. Sum of hourly average [O3] ≥ 60 ppb (SUM06) (a) and the cumulative O3 exposure

above 40 ppb (AOT40) (b) calculated from ozone concentrations measured in each of the eight

treatment plots.

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Figure 2.3. Ten-minute mean canopy temperature (Tc), net radiation (Rn), soil heat flux (G0),

sensible heat flux (H) and latent heat flux (λET) for a representative sunny day (13 August 2009)

for the highest (solid line) and lowest (dotted line) ozone concentration and the difference

between (grey line).

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Figure 2.4. Growing season mean canopy surface temperature (Tc) (a) for midday (10:00 to

14:00 h Central Daylight Savings Time; triangles apex down) and total day (triangles apex up),

soil heat flux (G0) (b), sensible heat flux (H) (c) and net radiation (Rn) (d) against actual total

season accumulated ozone exposure (AOT40; open symbols) and against actual growing season

mean 9 h ozone concentration (closed symbols). Solid lines are linear regression fits to the data

plotted against AOT40 and dashed lines are 95% confidence intervals.

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Figure 2.5. Contour maps of sensible heat flux (H, a), latent heat flux (λET, b), Bowen ratio (H/

λET, c) and canopy surface temperature (Tc, d) averaged over the diurnal time course (x axes)

arranged by AOT40 (y axes). Note that the dark red areas in the Bowen ratio plot are induced by

λET in the denominator approaching zero.

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Figure 2.6. Growing season total harvested seed yield (circles, a) and evapotranspiration (black

triangles, a) and harvestable water use efficiency (WUE, b) against AOT40 (x axis). Data

measured in control and elevated [O3] from 2002 to 2006 at the Soybean Free Air Concentration

Enrichment (SoyFACE) experiment (Bernacchi et al., 2011) are also presented (grey triangles).

The data from Bernacchi et al. (2011) represent lower [O3] treatments compared with the current

experiment; however, the AOT40 index values are relatively similar because of longer daytime

O3 fumigation (up to 16 h) relative to the current experiment (9 h). Linear regressions (solid

lines), 95% confidence limits (dashed lines) and the resulting equation and r2 are presented for

each relationship. A regression analysis (Mead & Curnow, 1983) between the linear trends from

the previous (grey triangles) and current (black triangles) measurements yields no statistically

significant differences (F2,14 = 0.27, P > 0.75).

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CHAPTER 3: A REGIONAL COMPARISON OF WATER USE EFFICIENCY FOR

MISCANTHUS, SWITCHGRASS AND MAIZE2

3.1 Abstract

Cellulosic feedstock production for use as renewable fuels will increase over the coming

decades. However, it is uncertain which feedstocks will be best suited for bioenergy production.

A key factor dictating feedstock selection for a given region is water use efficiency (WUE), the

trade-off between evapotranspiration (ET) and carbon uptake or productivity. Using an

ecosystem model, two of the top candidate cellulosic feedstocks, Miscanthus × giganteus

(miscanthus) and Panicum virgatum (switchgrass) were compared to Zea mays L. (maize), the

existing dominant bioenergy feedstock, with 0 and 25% residue removal for the Midwest US. I

determined productivity in three ways: harvested yield (HY), net ecosystem productivity (NEP)

and net biome productivity (NBP). Evapotranspiration was compared against each of the three

productivity metrics to yield Harvest Water Use Efficiency (HWUE), Ecosystem Water Use

Efficiency (EWUE) and Biome Water Use Efficiency (BWUE). Simulations indicated that, over

the study domain, miscanthus had a significantly higher HWUE compared to switchgrass and

maize, while maize and switchgrass were similar. When EWUE was compared miscanthus was

higher than both maize and switchgrass, which were similar for most of the region. Biome WUE

was similar for both of the perennials and higher compared to maize for most of the study

domain with the exception of the driest regions where maize showed the highest BWUE.

Removing 25% of maize residue slightly increased HWUE and greatly decreased BWUE

throughout the domain, however only HWUE changes were statistically significant. These

results indicate that the feedstock with the highest WUE varied based on the productivity metric,

but BWUE for maize was consistently lower than the perennials.

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3.2 Introduction

Biomass productivity is often considered the determining factor surrounding the adoption

of a bioenergy feedstock in a given area. However, key issues concerning environmental impacts

and/or ecosystem derived benefits known as ecosystem services should not be neglected in

planning the implementation of these feedstocks (Rowe et al., 2009; Smeets et al., 2009).

Environmental impacts and ecosystem services of biofuel production include a range of potential

changes to ecosystem properties such as soil/water quality, biodiversity and nutrient leaching

(Hill et al., 2006). Many of these changes are important drivers of biogeochemical cycles and

can be the result of biological processes such as carbon and/or nitrogen fixation as well as

anthropogenic processes such as tillage and nutrient application (Tilman et al., 2006).

Ecosystem water use is a key component of the hydrologic cycle and through vegetation is

intricately linked to other biogeochemical cycles (Sellers et al., 1997). The primary goal of

advanced renewable fuel production, including cellulosic derived energy, is to decrease

greenhouse gas emissions by 50% relative to current fossil fuel production (Renewable Fuel

Standard 2; RFS2). Given the importance of water availability for crop production (Chaves&

Oliveira ,2004; Oliver et al., 2009) and increasing competition for agricultural water resources

(Steduto et al., 2007; Suyker & Verma, 2010) , this objective can only be met if water resources

are available to accommodate the growth of high biomass yielding species in a sustainable

manner.

Many countries have governmental mandates requiring the use of second generation

bioenergy crops (e.g. EC, 2009; EPA, 2010,); however, the feedstocks from which the biomass

will be derived remain uncertain. Areas with high agricultural productivity, such as the Midwest

US, are well suited for the establishment of C4 perennial grasses. Two species, Miscanthus ×

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giganteus Greef et Deu ex. Hodkinson et Renvoize (miscanthus; Hodkinson & Renvoize, 2001)

(miscanthus) and Panicum virgatum L. (switchgrass), have been proposed as candidate

feedstocks for this region because of high productivity (Heaton et al., 2004, 2008; Somerville et

al., 2010). However, a trade-off often exists between productivity/carbon uptake and water use

(Jackson et al., 2005), as has been demonstrated for these two species (Hickman et al., 2010;

VanLoocke et al., 2010). Therefore, consideration of the total water resources available to plants

and the efficiency of biomass productivity relative to the use of water (i.e., water use efficiency)

should be considered when determining the sustainability of introducing new species on

landscapes (Wallace, 2000; Somerville et al., 2010).

The term water use efficiency (WUE) relates the amount of water used for a given

amount of biomass production or carbon gain. An increase in the WUE of an agro-ecosystem can

be considered an ecosystem service. Because productivity and carbon uptake can include

different aspects of the carbon cycle, a number of different metrics can be used to calculate

WUE. Harvested biomass is often used in agricultural studies to calculate WUE, neglecting all

other carbon pools. Perennial species, such as those identified as bioenergy feedstocks, invest a

greater amount of biomass below-ground (Anderson-Teixeira et al., 2009; Dohleman et al., 2012;

Khale et al., 2001; Neukirchen et al., 1999); this important ecosystem service is neglected when

calculating WUE from harvested material alone. Net ecosystem productivity (NEP) represents

the total sum of carbon from the net exchange by an ecosystem but does not include carbon

removed at harvest (Chapin et al., 2006). Using NEP in calculating WUE allows for direct

comparison of the water use relative to the total carbon removal from the atmosphere in a given

year. It is generally assumed that all carbon harvested from an ecosystem will eventually be

released into the atmosphere through combustion or respiration. The water use associated with

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the pool of remaining carbon, termed net biome productivity (NBP), provides an assessment of

the water use efficiency of secondary (non-harvested) ecosystem services. I use these three

productivity metrics to describe WUE for each feedstock to determine: (1) Harvest WUE

(HWUE) as the total water used in evapotranspiration (ET) to achieve a given harvested

biomass; (2) Ecosystem WUE (EWUE) as the total water used for the total annual NEP; and (3)

Biome WUE (BWUE) as the total water used for the total annual NBP.

Water use and carbon uptake for traditional row crops such as maize in the Midwest US

are well known under a wide range of environmental and management conditions (e.g. Bernacchi

et al., 2005; Hollinger et al., 2005; Kucharik & Twine, 2007; Suyker & Verma, 2009, 2010;

West et al., 2010; Zwart & Bastiaanssen, 2004). However, commercial-scale production of

perennial grasses in the same region where traditional row crops are planted is lacking. This

leaves large uncertainty concerning the potential environmental impacts and services that

transitioning to large-scale production will have on water resources (Rowe et al., 2009). While

perennial C4 grasses such as miscanthus and switchgrass are shown to be more productive

(Dohleman et al., 2009; Heaton et al., 2004, 2008) and reduce greenhouse gas emissions (GHG)

(Clifton-Brown et al., 2007; Davis et al., 2010, 2012) relative to annual crops, they are also

shown to have higher annual ET (Hickman et al., 2010; Le et al., 2011; McIsaac et al., 2010;

Rowe et al., 2009; VanLoocke et al., 2010). Without measurements from large-scale production

of perennial grasses for bioenergy, the only manner to assess the WUE is through the use of

ecosystem models.

The goal of this study is to compare total water use, productivity, and the three WUE

metrics mentioned above for miscanthus, switchgrass and maize over the Midwest US. I predict

that (1) compared to maize and switchgrass, miscanthus will use more water throughout much of

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the Midwest US but the water use will be offset by even higher biomass yielding higher harvest

WUE, (2) higher water use associated with switchgrass will not be offset by sufficient harvested

biomass and will yield substantially lower harvest WUE compared with maize, and (3) higher

total carbon uptake and higher below-ground biomass components associated with perennial

grasses will yield a higher ecosystem and biome WUE compared with maize. Since maize crop

residues are also considered a viable source of cellulosic feedstocks (Sheehan et al., 2003), I also

simulate the impact of corn residue removal on the various WUE metrics. I predict (4) that corn

residue removal will increase HWUE for maize but this will be offset by large decreases in

BWUE. I test my predictions using the Integrated Biosphere Simulator – Agricultural version

(Agro-IBIS; Kucharik & Brye 2003) parameterized and validated against a number of datasets

collected on each of the three species.

3.3 Methods

3.3.1 Model description

Agro-IBIS is the agricultural version of IBIS (Foley et al., 1996; Kucharik et al., 2000)

that was developed to simulate the biogeophysical and anthropogenic processes occurring in

cropped as well as natural ecosystems. A biophysically based approach is used to simulate both

C3 and C4 photosynthetic pathways and leaf physiology to predict carbon and water exchange

(Collatz et al., 1991; Farquhar et al., 1980) on an hourly time step. On the same time step, leaf

processes are scaled to the canopy using methods based on the land-surface transfer scheme

(Thompson & Pollard, 1995a,b). Carbon allocation and developmental stages are based on

temperature thresholds and the accumulation of growing degree days, and are dynamic

throughout the growing season. Agro-IBIS calculates belowground daily fluxes and pools of

nitrogen and carbon in plant matter and soil. The expansion of canopy leaf area is updated daily

by adding the carbon fixed in the leaf carbon pool multiplied by the specific leaf area (SLA) for

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that crop (Kucharik 2003). Agro-IBIS calculates ET by taking the sum of total canopy

transpiration as well as evaporation from soil and leaf surfaces. Each plant functional type has

independent parameterizations for physiologic sensitivity to environmental stresses (e.g., water

and nitrogen), which include effects of root distribution and key physiologic properties. The

simulation of annual crops has been evaluated in several studies (e.g. Donner & Kucharik 2003;

Kucharik 2003; Kucharik & Brye 2003; Kucharik &Twine 2007). In particular, maize water use

has been evaluated with surface flux measurements (Kuchark & Twine 2007) and maize yield

has been evaluated with USDA survey data across a 13-state region (Kucharik 2003). The

simulation of miscanthus structure and functioning has also been evaluated (Van Loocke et al.

2010).

3.3.2 Model development

The algorithm developed to simulate miscanthus by VanLoocke et al. (2010) was

modified for the current study to incorporate switchgrass. Key parameters and their associated

values in the switchgrass parameterization are summarized in Table 3.1. Switchgrass begins

senescence earlier than miscanthus. To capture this an additional browning period was

incorporated into the switchgrass algorithm before complete senescence occurs. A rhizome

biomass pool was incorporated for both feedstocks to improve belowground carbon dynamics.

Miscanthus and switchgrass take 2-5 years to reach full maturity (i.e., ceiling yield) depending

upon location (Heaton et al., 2010); to incorporate this, an initial rhizome building period was

added in the years following planting. It has also been suggested that miscanthus translocates

nutrients and biomass between above-ground biomass and the rhizome at periods during the

growing season (Dohleman et al., 2012; Heaton et al., 2010). To accommodate this, a

translocation algorithm was added. The rhizome building and translocation algorithms were

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developed by parameterizing biomass allocation factors to match observed dynamics of below-

and above-ground biomass accumulation (Dohleman et al., 2012).

Simulations with 100% coverage of each feedstock were conducted over the entire

domain to compare the influence of soil and climate on the growth and water use of the three

species; these scenarios are not intended to represent actual production scenarios. To isolate the

differences among the feedstocks in the comparison, I minimized the number of management

factors that could affect ecosystem function. For example, I do not simulate irrigation as its use

would introduce numerous questions associated with sustainability. I also assume no nutrient

limitations or tillage. Each of these management factors can affect biogeochemical cycling.

However, to address the uncertainty in the management of these feedstocks and the

biogeochemical response requires additional analysis considered beyond the scope of this

manuscript.

3.3.3 Model evaluation

Because Agro-IBIS has been evaluated for miscanthus previously (VanLoocke et al.,

2010) I focused on the evaluation of the model predictions for switchgrass against available

datasets. Model evaluation was performed on single site simulations conducted for the

University of Illinois South Farms (UISF; Urbana, IL: 40.04N, 88.22W) on an hourly time step,

for a period spanning from 2002 to 2010. A model spin-up of 150 years with natural vegetation

was employed to allow soil carbon pools to reach near equilibrium (VanLoocke et al., 2010).

UISF sites include 0.2 hectare plots that were established in 2004 and 2005 at the SoyFACE

research site (see Dohleman & Long, 2009; Heaton et al., 2008; Hickman et al., 2010) and 4

hectare plots established in 2008 at the University of Illinois Energy Farm (UIEF; see Zeri et al.,

2011). Input data used to drive simulations at a one-hour time step were compiled using

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precipitation data from Willard Airport in Savoy, IL (40.04N, 88.27W) and other meteorological

data (e.g. air temperature, humidity, wind speed, and radiation) from the nearby Surface

Radiation Network site (40.05N, 88.37W). Simulations were validated against observations of

leaf photosynthesis, Leaf Area Index (LAI), aboveground biomass, root and rhizome biomass,

net ecosystem exchange and latent heat flux (LE) data (Table 3.2).

3.3.4 Regional experiments

Regional simulations for the Midwest US (49.75N to 36.50N; 80.25W to 104.25W) were

run on an hourly time step, from 1971 to 2002, at 0.5° x 0.5° spatial resolution. This thirty-two

year time period was selected to capture interannual climate variability in recent decades. The

regional spin up procedure was the same as the single site and used potential vegetation for each

grid cell. In Agro-IBIS, the distribution of potential vegetation is determined based on climate

criteria (Foley et al., 1996). Each grid cell is initialized with a distribution of plants from

vegetation maps (Ramankutty & Foley, 1998) and potential vegetation (i.e. vegetation that would

grow in the absence of anthropogenic influence) from the International Geosphere Biosphere

Programme’s 1-km DISCover land cover dataset (Loveland & Belward, 1997). Soil texture class

for each 0.5° grid cell at all eleven soil layers to 2.5 m depth are based on the CONUS dataset

(Miller & White, 1998) and are used by Agro-IBIS to determine soil hydraulic and thermal

properties. The climate data needed to drive simulations at the hourly time step were derived by

combining monthly climate data (1901-2002) and climatological mean values (1961-1990) from

University of East Anglia Climate Research Unit datasets (Mitchell & Jones, 2005; New et al.,

1999), with daily anomaly data for 1948-2002 from the National Centers for Environmental

Prediction-National Center for Atmospheric Research reanalysis dataset (Kalnay et al., 1996;

Kistler et al., 2001). From these climate data, hourly values were produced using empirically

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derived diel functions for relationships among atmospheric variables (Campbell & Norman,

1998).

Results are presented here for the 1973-2002 time period. Differences between

feedstocks were evaluated for statistical significance independently for each grid cell with the

number of degrees of freedom corresponding to years using the Student’s t-test at the 95%

significance level. Model output analysis was restricted in some northern portions of the domain

due to poor model performance and uncertainty of the survivability of rhizomes in very cold soil

temperatures (e.g. Clifton-Brown et al., 2001; Clifton-Brown & Lewandowski, 2000b; Farrell et

al., 2006; Heaton et al., 2010; Jain et al., 2010; Lewandowski et al., 2000; Miguez et al., 2011;

Zub et al., 2010). I considered an explicit representation of rhizome mortality an issue beyond

the scope of the current analysis. To simulate the removal of maize residue, a set fraction of

non-grain biomass was removed in the model at the time of harvest.

3.3.5 Water use efficiency metrics

I report WUE based on three metrics: Harvest WUE (HWUE; [(kg DM ha-1

)/(mm H2O)];

Eq. 1), Ecosystem WUE (EWUE; [(kg C ha-1

)/(mm H2O)]; Eq. 2), and Biome WUE (BWUE;

[(kg C ha-1

)/(mm H2O)]; Eq. 3). These are calculated, respectively, as:

( )

( )

( )

where HDM is annual Harvested Dry Matter [kg DM ha-1

], NEP is annual net ecosystem

productivity [kg C ha-1

], NBP is annual net biome productivity [kg C ha-1

], and ET is annual

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evapotranspiration [mm H2O]. To calculate NBP and BWUE, the dry matter removed at harvest

was converted to carbon by accounting for carbon fraction of dry matter (Table 1). The HWUE

represents the agronomic perspective on water use, and is the most commonly reported metric

among various vegetation types including crops at a wide range of sites. In the maize residue

removal scenario, HWUE is calculated with the grain biomass plus the mass of the removed

residue as harvested biomass. As calculated here HWUE does not account for differences in

energy content between the various biomass types. Ecosystem WUE represents the trade-off

between carbon uptake and water use that is driven primarily by the vegetation dynamics of an

ecosystem. Biome water use efficiency is to the authors’ knowledge a previously unreported

metric that arguably represents the most applicable estimate of WUE for both policy makers and

as an ecosystem service in feedstock production, serving as the bottom line for the trade-off of

water and carbon.

3.4 Results

3.4.1 Model Evaluation

Simulated leaf level photosynthesis and measurements of switchgrass show a positive

correlation with a slight overestimate (model = 1.07*obs + 1.83; r2

= 0.87; Figure 3.1). Overall,

simulated LAI also corresponds to the observations (r2

= 0.57), capturing the initial exponential

rise, the approximate timing and magnitude of peak LAI, and leaf loss after reaching

physiological maturity (Figure 3.2). An exception is 2009 when simulated LAI is greater than

the observations throughout most of the growing season (Figure 3.2b). The simulated values are

slightly less than the maximum observed values in 2005 and 2006 (Figure 3.2a) and are slightly

higher than the corresponding values observed in 2009 and 2010 (Figure 3.2b). The simulated

leaf loss occurs earlier in 2005 and 2006 (Figure 3.2a) and later in 2009 and 2010 (Figure 3.2b)

than was observed. Simulated harvested yield matches inter-annual variability in the

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observations, and the mean simulated yield across all years is ±1 SE of the mean of the

measurements (Figure 3.3). Miscanthus and switchgrass simulated root biomass reached ca. 5.5

Mg ha-1

and simulated rhizome biomass for miscanthus and switchgrass are 25 and 10 Mg ha-1

(data not shown), respectively, similar to field observations (Dohleman et al., 2012).

The timing and magnitude of simulated NEP is similar between the model and eddy

covariance measurements, capturing the transition from winter dormancy to spring uptake,

summer maximum uptake, and fall transition into dormancy (Figure 3.4). When integrated over

the annual time course, carbon uptake is overestimated in 2009 (Figure 3.4, top row) and nearly

identical in 2010 (Figure 3.4, bottom row). Maximum uptake during June and July was

underestimated in the simulations for both years. Fall senescence was delayed by one to two

weeks relative to observations in both years. The overall sum of carbon uptake was within 6%

over the two-year period and within 3% during 2010, the first year of full maturity. When

compared to residual energy balance measured only during the 2007 growing season, simulated

LE is underestimated by ca 85 mm compared to observations (Figure 3.5, top row). When

compared to eddy covariance measurements, simulated LE is slightly underestimated in 2009

(Figure 3.5, middle row) and overestimated in 2010 (Figure 3.5, bottom row). In both cases the

simulated ET is within 8% of measured ET each year, and within 2% for the total time period of

the eddy covariance dataset.

3.4.2 Regional Simulations

Harvested yield (HY) follows a pattern similar to ET (Figure 3.6,3.7). Switchgrass HY is

within 2 Mg ha-1

of maize grain for most of the domain. Miscanthus has the widest spatial range

of HY (10-36 Mg ha-1

) and yields are 1.5-3 times greater than maize and switchgrass for the

majority of the domain (Figure 3.6a-c). Mean annual NEP is highest for miscanthus, followed

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by switchgrass and then maize (Figure 3.6d-f). Depending on location, mean NEP for

switchgrass ranges from no difference to 100 g C m-2

greater than maize, while the range for

miscanthus is 250 to 1,000 g C m-2

greater than maize. Mean NBP is greatest for miscanthus

with much of the region showing positive values (i.e., carbon sink) of up to 200 g C m-2

(Figure

3.6i). Miscanthus is not a sink for the entire domain, however, with a range of NBP from -75 to

0 g C m-2

in the southern and western portions of the domain (Figure 3.6i). The area in which

switchgrass is a net carbon sink is smaller than miscanthus, with NBP ranging from 0 to 175 g C

m-2

for most of the region but with the southern locations indicating negative NBP (i.e. carbon

source) ranging from -100 to 0 g C m-2

(Figure 3.6h). Switchgrass is a sink in the southwest

portion, whereas miscanthus is a source in that portion of the domain (Figure 3.6h,i). Maize has

the lowest 30 year mean NBP, with the western portion of the domain in carbon sinks of 0 to 100

g C m-2

and the eastern portion a carbon source of -175 to -25 g C m-2

. Throughout the model

domain, the 30-year mean annual ET is highest for miscanthus and lowest for maize (Figure 3.7).

Miscanthus ET ranges between 50 and 200 mm greater and switchgrass between 25 and 150 mm

greater than values observed for maize (Figure 3.7a-c).

Harvest WUE (HWUE) differs between species but is generally conserved within a

species over the study domain (Figure 3.8a-c). Peak values of miscanthus HWUE of 45 (kg DM

ha-1

)/(mm H2O) are found in the southeast of the domain where highest yields and the highest ET

are simulated (Figure 3.8c). Minimum values of miscanthus HWUE occur in the drier, western

portion of the domain, where yields are approximately one-third and water use closer to one-half

the values found in wetter regions. The variation of switchgrass HWUE follows a pattern similar

to miscanthus, but is much lower on average (Figure 3.8b). Peak values of switchgrass HWUE

are 15 (kg DM ha-1

)/(mm H2O) and minimum values are, as with miscanthus, approximately

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one-third of the maximum (Figure 3.8b). Maize HWUE is similar to switchgrass, with values of

ca 18 (kg DM ha-1

)/(mm H2O) throughout the Corn Belt (West Central Indiana, northward to

Wisconsin and westward to Iowa) with lower values outside that sub-region (Figure 3.8a).

Ecosystem WUE (EWUE) follows a similar pattern to HWUE for each feedstock (Figure

3.8d-f). The maximum EWUE value for switchgrass of 8 (kg C ha-1

)/(mm H2O) is slightly less

than the maximum of 10 (kg C ha-1

)/(mm H2O) for maize (Figure 3.8d,e). All three species show

a regional minimum in EWUE in the southwestern areas of the Midwest, with the lowest values

in switchgrass. The maximum EWUE of 22 (kg C ha-1

)/(mm H2O) was observed for miscanthus

in the southeast and northern portions of the domain with values of ca 15 (kg C ha-1

)/(mm H2O)

throughout most of the domain, and minimums of 7.5 (kg C ha-1

)/(mm H2O) in the southwest

(Figure 3.8f).

Throughout the study area, with the exception of the southwest, BWUE is positive for

miscanthus with maximum values of 4 (kg C ha-1

)/(mm H2O) (Figure 3.8i). Maximum BWUE

values of 4 (kg C ha-1

)/(mm H2O) are also found in switchgrass, however, the spatial variability

in BWUE is different from that of miscanthus (Figure 3.8h). Maize BWUE is rarely above zero

in the eastern half of the domain, with positive values occurring mainly in the western portion of

the domain (Figure 3.8g).

A direct comparison of the three water use efficiency metrics shows large differences in

which species provides the most ecosystem services in terms of carbon remaining in an

ecosystem for a given amount of water used. Harvest WUE is significantly greater (p<0.05) over

the entire study domain for miscanthus compared to switchgrass (Figure 3.9c) and maize (Figure

3.9a). There are no statistically significant differences in HWUE between maize and switchgrass

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(Figure 3.9b). Ecosystem WUE is significantly greater for miscanthus for the entire domain

compared to maize (Figure 3.9d) and switchgrass (Figure 3.9f) and only small differences

between switchgrass and maize were observed in much of the domain (Figure 3.9e). Switchgrass

has a higher BWUE than maize for most of the domain with areas of small, non-statistically

significant differences limited to the southern area (Figure 3.9h). Miscanthus BWUE is greater

than maize with the exception of western region of the domain (Figure 3.9g). There are no areas

within the Midwest where BWUE for maize was higher than it was for at least one of the

perennial grasses.

When the 25% maize residue removal scenario is compared to the no-removal scenario,

maize HWUE is 10 to 20% greater (p<0.05) throughout most of the domain with the largest

differences in the western portion of the domain (Figure 3.10a). Maize EWUE is also greater

with 25% residue removal, although the change is less than 20% for most of the domain and is

not statistically significant (Figure 3.10b). Biome WUE shows the largest percentage change

among the WUE metrics over most of the domain, and is up to 60% lower in the residue removal

scenario. While BWUE shows the largest percent change, it is not statistically significant

anywhere in the domain (Figure 3.10c).

3.5 Discussion

The goal of this study was to produce a regional comparison of the WUE of two

candidate cellulosic bioenergy feedstocks, miscanthus and switchgrass, and the current dominant

feedstock, maize. To accomplish this goal, WUE of miscanthus and switchgrass, and maize

were compared for the Midwest US using an updated version of the Agro-IBIS model.

Simulations at the field-scale accurately represented the measured fluxes of carbon and water for

each crop type. Scaling the model to the region indicates that miscanthus has a higher WUE than

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maize based on three separate WUE metrics. Switchgrass and maize are similar except when

comparing biome WUE, when switchgrass is shown to have high efficiencies. Harvesting 25%

of maize residue increased harvested WUE, however biome WUE dropped by a much larger

fraction. While miscanthus has higher annual ET, the gain in carbon is large enough to offset this

increase resulting in greater uptake of carbon per unit water used, especially when the large

below-ground biomass production is considered. These results show that the trade-off between

carbon and water is variable among feedstocks based on whether harvest or other ecosystem

services (e.g., carbon sequestration) are considered. Additionally, while miscanthus has higher

biomass productivity over the whole study domain, this productivity can come at the expense of

less carbon remaining in the field after harvest compared with switchgrass. Thus, productivity,

water use and water use efficiency should all be considered when determining the optimal

feedstock for a given location.

To my knowledge, there is no other process-based model that simulates the growth of

these three species. Because the Agro-IBIS model is the only dynamic ecosystem model that has

incorporated an explicit representation of miscanthus growth alongside an existing module for

maize (VanLoocke et al., 2010), I developed and tested an algorithm for switchgrass growth.

This new algorithm performed well when compared to a wide range of leaf and ecosystem scale

observations. Of particular importance to this study was the ability to accurately simulate

canopy fluxes of H2O and CO2, which on short time scales were typically within 25% of

observations, and on annual timescales within 10% of observations from the eddy covariance

data. The energy balance closure is the fraction of the available energy (net radiation) captured

by all fluxes and heat storage terms measured at the ecosystem scale and is considered an

important test of eddy covariance measurements (Foken et al., 2006; Wilson et al., 2002). For

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the UIEF site, energy balance closure ranged from 0.84 to 0.89 (Zeri et al., 2011), within the

range of most eddy covariance experiments (Foken et al., 2006; Wilson et al., 2002). Data

availability over the wider spatial scale of the study domain remains a limiting factor in assessing

accuracy and uncertainty, however, the multi-scale evaluation presented here is a unique

characteristic of my study relative to recent modeling works on environmental aspects of

perennial feedstock production.

Miscanthus and switchgrass are both perennial grasses and share many of the same

physiological and phenological traits, including higher water use (Hickman et al., 2010) and

increased harvest yield (Dohleman & Long, 2009; Heaton et al., 2008) relative to the existing

Midwest US crops. The results presented here show that, over the study domain, the perennial

grasses consistently use larger amounts of water than maize. The results also show that,

compared to maize, the total biomass harvested is similar for switchgrass and significantly

greater for miscanthus. While there is clear evidence for higher yield and increased water use for

perennial grasses, the key question when evaluating potential impacts to ecosystem services is

whether the increase in water use is greater than the increase in biomass. Water use efficiency is

the relevant metric to assess whether the higher water use associated with the perennial grasses is

offset by even higher carbon allocated to harvested material. There is also potential for the

higher water use to be associated with other ecosystem services beyond harvested yield, as I

investigated using various carbon pools to calculate WUE.

A summary of HWUE for maize has been reported for a number of sites around the world

(Zwart & Bastiaanssen, 2004) with a mean global value of 18 ± 6.9 (kg DM ha-1

)/(mm H2O).

Recent studies in the Midwest (e.g. Hickman et al., 2010; Suyker & Verma, 2009) report values

within this range, however all of these studies only include ET during the growing season in the

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calculation of HWUE. My results fall in the low end of this range, mainly because I use annual

ET. My results compare better with these published values when my simulated growing season

ET is used (data not shown). HWUE values have been reported to be higher (e.g., 20- 28 (kg

DM ha-1

)/(mm H2O)) for miscanthus and generally lower (e.g., 10 (kg DM ha-1

)/(mm H2O)) for

switchgrass (Beale et al., 1999; Clifton-Brown & Lewandowski 2000a; Hickman et al., 2010;

Lewandowski et al., 1995). Hickman et al. (2010) found that maize HWUE was similar to

miscanthus, while switchgrass was significantly lower than maize. Results from my simulations

suggest that miscanthus HWUE might be greater than maize, while switchgrass might be similar

to maize. This discrepancy can be resolved based on two factors. First, the harvested yield

reported for miscanthus in Hickman et al. (2010) was ~18 Mg ha-1

, lower than any other yield

reported for full maturity miscanthus in central Illinois (e.g. Dohleman et al., 2009; Heaton et al.,

2008;). Simulated yields were rarely below 20 Mg ha-1

for the region, which is agreement with

other productivity assessments for this region (Miguez et al., 2011). My mean yields were

significantly higher than those reported in Hickman et al. (2010) for miscanthus, resulting in

higher HWUE. Secondly, this study computed HWUE for the entire calendar year, whereas

Hickman et al. (2010) limited HWUE to the growing season. The ET reported in this analysis

includes the amount of fallow soil evaporation, which would act to decrease HWUE compared to

Hickman et al. (2010) especially for annual maize ecosystem (Suyker & Verma, 2009; Figure 3.4

first column). While future studies are needed to decrease the uncertainty in expected

production-scale yields of miscanthus, calculations of the WUE metrics must be performed at

annual scales to fully account for total ecosystem water use.

The results for HWUE suggest that, compared with maize, the higher harvested biomass

in miscanthus compensates for higher water use while switchgrass has comparable harvested

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biomass but it coincides with more water use. This metric, however, ignores other possible

ecosystem services. Unlike annual crops, perennial grasses partition a significant amount of

resources below-ground (Anderson-Teixeira et al., 2009; Jackson et al., 1996). Because NEP is

the balance of carbon that enters an ecosystem over a given period of time (per annum in my

study), it includes the allocation of carbon into all ecosystem pools. Whereas HWUE considers

only one carbon pool – the harvested yield – using annual NEP to define WUE, referred here as

Ecosystem WUE (EWUE), provides estimates of the total carbon taken from the atmosphere into

the ecosystem. Comparisons of EWUE among these species shows that a larger annual net flux

of carbon into switchgrass drives the EWUE slightly higher than for maize over much of the

study domain, although this effect is only significant in limited parts of the study domain (Figure

9e).

Of the total NEP, a significant portion is removed from the field during harvest resulting

in only a small portion of carbon remaining each year (i.e., NBP). A wide range of NBP values

have been reported for switchgrass indicating the potential for large carbon sinks of up to 1 kg C

m-2

yr-1

over the first three years of establishment (Frank et al., 2004), to more moderate sinks

120-240 g C m-2

in mature stands (Al-Kaisi et al., 2005; Lee et al., 2007) to potential small

sources depending on harvest removal efficiency of aboveground biomass (Skinner et al., 2010).

Farm-scale switchgrass managed for bioenergy production was found to increase soil organic

carbon (SOC) at most sites across a large geographic range constrained to the west and northwest

of my study domain (Liebig et al., 2008). An analysis of miscanthus suggested a possible

increase in SOC relative to a C3 grassland after 15 years of continuous cultivation however this

increase was not statistically significant (Clifton-Brown et al., 2007). Similarly, miscanthus

residue has been shown to contribute to soil organic matter (SOM) based on measurements in

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Europe (Foereid et al., 2004). Within my study domain, SOC is predicted to increase for at least

the first ten years under miscanthus and decrease slightly for switchgrass (Anderson-Teixeira et

al., 2009), however it is important to note that these scenarios are specific to replacing annual

row crops with perennial grasses. The relative rate of decomposition has been shown for varying

miscanthus carbon pools under lab conditions (Beuch et al., 2000) and the contribution of

miscanthus residue to SOM in European experiments have been reported (Foereid et al., 2004).

While some studies have been able to characterize the decomposition of litter in lab conditions

(Beuch et al., 2000), limited data are currently available for miscanthus grown in the Midwest

US creating uncertainty about the decomposition and turnover rate of miscanthus carbon pools

for this region.

My simulations of BWUE show that the slightly lower HWUE of switchgrass relative to

maize can be offset by the increased likelihood of switchgrass providing long-term ecosystem

service of carbon sequestration. Of the three species, miscanthus has the highest total yield, the

highest absolute water use, and the highest HWUE and EWUE. However, the BWUE for

miscanthus is not consistently higher than the other two species over the entire study domain. In

particular, the western region of the study domain shows that total water use for miscanthus is

relatively high (Figure 3.7) yet opportunity for carbon sequestration is low (Figure 3.6i). For this

portion of the study area, the higher HWUE comes at the expense of the possible opportunity to

sequester carbon. Furthermore, my simulations show relatively little land area within the

Midwest US where maize has a higher BWUE than either miscanthus or switchgrass.

3.5.1 Model setup considerations

The exclusion of nutrient limitation could lead to over-estimates of productivity and

water use in situations where nutrients are insufficient. However, it is unlikely that nutrient

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limitation will be prevalent in bioenergy production scenarios as current fertilization practices in

Midwest agriculture often result in over-fertilization (Millar et al., 2010; Robertson & Vitousek,

2009), and miscanthus and switchgrass require less nutrients than current crops (Heaton et al.,

2008,2009). In comparison to the perennial grasses (e.g., Figure 3.9), only grain was removed

during harvest from maize, I did not simulate the typical soybean rotation, and I assumed no

tillage. These three management factors were considered to ensure maximum carbon remaining

in the ecosystem and likely represent the upper limit of possible carbon sequestration for maize.

Conversely I did not account for the higher energy content of grain relative to biomass in my

HWUE calculation which could increase the HWUE of maize compared to miscanthus and

switchgrass. However, uncertainties around the conversion efficiencies of the varying

feedstocks into fuel, and the potential variability associated with quality of biomass delivered to

a conversion facility present a series of factors that are beyond the scope of this analysis

therefore, I compared HWUE only on a mass basis.

Continuous maize management likely results in a higher positive mean annual NEP than

what is commonly observed because corn years have greater carbon uptake than soybean years in

corn/soy rotations in the Midwest US (Bernacchi et al., 2005; Verma et al., 2005; West et al.,

2010; Zeri et al., 2011). Long-term continuous maize agronomic practice is currently not favored

because of the required amounts of inputs such as fertilizer (Donner & Kucharik, 2008),

concerns of pest and pathogens (Bennett et al., 2011) and residue build-up that may eventually

inhibit emergence (Blanco-Canqui & Lal, 2009). The use of non-grain biomass (i.e. corn

residue) has been proposed for maize liquid fuel production (Sheehan et al., 2003) but depending

on the level of removal the SOC could be significantly reduced as a result (Anderson-Teixeira et

al., 2009; Blanco-Canqui, 2010; Blanco-Canqui & Lal, 2009; Kochsiek & Knop, 2011; Powers et

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al., 2011). This is important to consider when comparing the simulated NBP for maize in this

analysis. If all aboveground biomass is removed as in the perennial feedstocks, the amount of

carbon removal would approximately double (assuming a ca. 0.5 harvest index), and would

cause a large shift in the estimate of NBP. Such a scenario, for example, would increase the

HWUE for maize but result in BWUE decreasing by a much larger percentage (figure 10a,c).

While BWUE showed a large decrease under this scenario, the difference was not statistically

significant due to relatively large variability in NBP, which is an order of magnitude smaller than

HY.

Miscanthus may affect the hydrologic cycle if planted in very high fraction coverage

under current conditions (VanLoocke et al., 2010) as well as when climate change factors are

considered (Le et al., 2011). Improving WUE is one of many possible ecosystem services.

Miscanthus is likely to have the greatest WUE, using any of the three productivity calculations,

at most locations throughout the study domain; however, this does not imply that miscanthus is

the optimum selection everywhere. In this study I limited the model to rain-fed conditions to

ensure that productivity is limited by available moisture. Establishing miscanthus in areas where

most of the precipitation is evapotranspired by miscanthus could lead to high biomass

productivity but have significant impacts on aspects of the hydrologic cycle not considered in

this study (e.g., stream flow and groundwater recharge).

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Wilson K, Goldstein A, Falge E, Aubinet M, Baldocchi D, Berbigier P, Bernhofer C, Ceulemans

R, Dolman H, Field C, Grelle A, Ibrom A, Law BE, Kowalski A, Meyers T, Moncrieff J.,

Monson R, Oechel W, Tenhunen J, Valentini R, Verma S. 2002. Energy balance closure

at FLUXNET sites. Agricultural and Forest Meteorology, 113, 223-243.

Zeri M, Anderson-Teixeira KJ, Hickman GC, Masters M, DeLucia EH, Bernacchi CJ. 2011.

Carbon exchange by establishing biofuel crops in Central Illinois. Agriculture Ecosystem

and Environment, 144:319-329.

Zub HW, Brancourt-Humel M. 2010. Agronomic and physiological performances of different

species of Miscanthus, a major energy crop. A review. Agronomy for Sustainable

Development, 30:201-214.

Zwart SJ, Bastiaanssen WGM. 2004. Review of measured crop water productivity values for

irrigated wheat, rice, cotton, and maize. Agricultural Water Management, 69:115-133.

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3.7 Tables and Figures

Table 3.1. Agro-IBIS parameters modified from default values for C4 grass or maize in Agro-

IBIS for the switchgrass module.

Parameter

Name

Description Default

Value

New

Value

Source

Vmax maximum rubisco activity at 15 °C

at top of canopy [µmol m-2

s-1

]

18 12.5 Dohleman et al.,

2009/Wang et al., 2011*

Q* intrinsic quantum efficiency

[dimensionless]

0.05 0.038 Dohleman et al., 2009/

Wang et al., 2011

SLA specific leaf area [m2 kg

-1 dry

matter]

35 31 Dohleman et al., 2009/

Wang et al., 2011

LAImax maximum Leaf Area Index (LAI)

allowed

6.2 6.5 Heaton et al., 2008

Laicons LAI decline factor constant for crops 5 0.75 this paper

hybgdd maximum Growing Degree Days

[base 8° C] required for

physiological maturity

1600 2850 Emily Heaton/Frank

Dohleman (unpublished

results)

Mxmat maximum number of days allowed

past planting for physiological

maturity to be reached

165 210 Emily Heaton/Frank

Dohleman (unpublished

results)

Harvdate harvest date 295 365 †

Stsuml soil temperature summation

Growing Degree Days [base 0° C]

for emergence

1320 400 Emily Heaton/Frank

Dohleman (unpublished

results)

Aleaf fraction of assimilated carbon to

leaves (initial, final)

0.4, 0.05 0.6, 0.425 this paper

Astem fraction of assimilated carbon to

stems (initial, final)

0.4, 0.1 0.2, 0.5 this paper

Aroot fraction of assimilated carbon to

roots (initial, final)

0.2, 0.2 0.15, 0.05 this paper

Arhizome Fraction of assimilated carbon to

rhizome (initial,final)

n/a 0.05,0.02

5

this paper

Arepr fraction of assimilated carbon to

reproductive pool (initial, final)

0.2, ~1 0.0, 0.05 this paper

Cnleaf

Cfrac

Cfracroot

Cfracrhizome

C:N ratio of leaf biomass

Fraction of above ground dry matter

that is carbon

Fraction of root dry matter that is

carbon

Fraction of rhizome dry matter that

is carbon

60

0.43

0.43

n/a

100

0.46

0.44

0.457

Heaton et al., 2009

Christian et al., 2002,

Michel et al., 2006

Dohleman et al., 2012

Dohleman et al., 2012

*Value adjusted from 25 to 15 °C using the temperature correction in Bernacchi et al. (2001).

†An ideal harvest management strategy has not yet been identified. Therefore, this represents a

harvest date at the end of the calendar year.

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Table 3.2. Summary of data available for model evaluation collected from the University of

Illinois South Farms.

Variable Temporal

Resolution

Growing

Season(s)

Source

An Hourly 2005,2006 Dohleman et al., 2009

LAI Bi-weekly 2005, 2006

2009, 2010

Heaton et al., 2008

Zeri et al., 2011

Yield Annual 2004-2010 Heaton et al., 2008; Dohleman*

Voigt*; Arundale*

Below-ground

Biomass

Annual 2006-2008 Dohleman et al., 2012

Latent Heat

Flux

Hourly 20071

20092,2010

2

Hickman et al. 2010

Zeri et al., 2011

Carbon Fluxes Hourly 20092,2010

2 Zeri et al., 2011

LAI, leaf area index. An, net leaf photosynthesis. 1indicates residual energy balance approach

2indicates eddy covariance technique. *indicates unpublished data/personal communication

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Figure 3.1. Simulated and observed leaf net photosynthesis (An) for switchgrass over 144 hourly

observations at various time periods over 18 days in 2005 and 2006. The measured data

(Dohleman & Long 2009) are compared to the hourly values modeled using the same

environmental conditions. The solid black line is the linear regression line for all data and the

dashed line is the 1:1 relationship.

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Figure 3.2. Simulated and observed leaf area index (LAI) for switchgrass measured in 2005-2006

(A) and 2009-2010 (B). Symbols for the measured data (Heaton et al., 2008 (A) and Zeri et al.,

2011 (B)) represent the mean of three observations and error bars represent 1 SE around the

mean.

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Figure 3.3. Simulated and observed aboveground harvested yield for switchgrass grown at the

University of Illinois South Farms site. Observed values (from Heaton et al., 2008, Zeri et al.,

2011, Frank Dohleman, Rebecca Arundale and Thomas Voigt unpublished data) are mean (n = 4

± 1 SE) except 2007 and 2010 where values are total site average without subsamples.

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Figure 3.4. Observed (left column), simulated (middle column) and the difference in (simulated –

observed; right column) net ecosystem exchange (NEP) for switchgrass over the diel time course

(X-axis) throughout the year (top and bottom row) for switchgrass. Measurements were made at

in thirty-minute intervals (Zeri et al., 2011) and averaged to hourly values to correspond to the

model output. Annual net ecosystem productivity (left and middle columns) and the differences

(third column) are inset within each graph.

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Figure 3.5. Observed (left column), simulated (middle column) and the difference in (simulated –

observed; right column) latent heat flux (LE; W m-2

) for switchgrass over the diel time course

(X-axis) throughout the growing season (top row) or year (middle and lower row). Observations

for 2007 are values measured using a residual energy balance technique at ten minute temporal

resolution (Hickman et al., 2010) and for 2009 and 2010 are measured using eddy covariance at

with thirty-minute temporal resolution (Zeri et al., 2011). Observations were averaged from the

original temporal resolution to hourly values to match simulated output. Annual sums (first two

columns) and difference in annual sums (third column) are inset within each graph.

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Figure 3.6. Mean annual harvested yield for maize grain (a), switchgrass (b), and miscanthus (c);

mean annual net ecosystem productivity for maize (d), switchgrass (e), and miscanthus (f); and

mean annual net biome productivity for maize (g), switchgrass (h), and miscanthus (i) simulated

over the Midwest US for 30 years (1973-2002).

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Figure 3.7. Simulated annual evapotranspiration based on 30-year (1973-2002) means for (a),

maize (b) switchgrass, and (c) miscanthus over the Midwest US.

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Figure 3.8. Mean harvest WUE for corn (a), switchgrass (b), and miscanthus (c); mean

ecosystem WUE for corn (d), switchgrass (e), and miscanthus (f); mean biome WUE for corn

(g), switchgrass (h), and miscanthus (i) simulated over the Midwest US for 30 years (1973-

2002).

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Figure 3.9. Mean differences in the harvest WUE (left column), ecosystem WUE (middle

column) and biome WUE (right column) for miscanthus – corn (top row), switchgrass – corn

(middle row) and miscanthus – switchgrass (bottom row) simulated over 30 years (1973-2002).

Hatching indicates a statistically significant (P < 0.05) difference according to Student’s t-test.

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Figure 3.10. Percent difference in harvest WUE (a), ecosystem WUE (b) and biome WUE (c)

for two maize scenarios, one with no residue removal and one with 25% residue removal. Mean

differences are based on simulations over 30 years (1973-2002). Positive values indicate higher

WUE for the 25% residue removal simulations. Hatching as in figure 9.

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CHAPTER 4: WATER QUALITY AND QUANTITY IN THE CONTEXT OF LARGE-

SCALE CELLULOSIC BIOFUEL PRODUCTION IN THE MISSISSIPPI-

ATCHAFALAYA RIVER BASIN

4.1 Abstract

Numerous socio-economic and environmental pressures have driven the need to increase

domestic renewable energy production in the US. The primary attempt at addressing this need

has been to use maize grown in the Midwest region; however, the leaching of residual nitrate

from fertilizer drives the formation of the Gulf of Mexico hypoxic or “Dead Zone” which can

have significant environmental impacts on the marine ecosystems. An alternative option to meet

the renewable energy needs while reducing the environmental impacts associated with the

leaching of nutrient or dissolved inorganic nitrogen (DIN) and the consequent export

downstream is to produce high-yielding, low fertilizer input perennial grasses such as

switchgrass and miscanthus. While these feedstocks are able to achieve higher productivity than

maize grain with fewer inputs, they require more water which reduces the recharge of rivers

(runoff), presenting the potential for environmental impacts on regional hydrologic cycle,

including reductions in streamflow.

The goal of this research is to determine the change in the runoff of water and the

resulting changes in streamflow in the Mississippi-Atchafalya River Basin (MARB) as well as

changes in DIN leaching and the resulting DIN export to the Gulf of Mexico associated with a

range of large-scale cellulosic production scenarios within the basin. To address this goal, I

adapted a vegetation model capable of simulating the biogeochemistry of current crops as well as

miscanthus and switchgrass, the Integrated Biosphere Simulator – agricultural version (Agro-

IBIS) and coupled it with a hydrology model capable of simulating streamflow and nitrogen

export, the Terrestrial Hydrology Model with Biogeochemistry. Simulations were conducted at

varying fertilizer application rates (0 to 200 kg N ha-1

) and fractional replacement (5 to 25%) of

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current row crops with miscanthus and/or switchgrass across the MARB. The analysis also

includes two scenarios where miscanthus and switchgrass (MRX and MRS respectively) each

replace the ca. 40% of maize production currently devoted to ethanol. Data analysis indicated

that there were reductions in runoff and streamflow throughout the MARB, with the largest

differences (ca 6%) occurring in drier portions of the regions. However, differences in total

MARB discharge at the basin outlet were less than 1.5% even in the scenario where miscanthus

replaces all maize grain going to ethanol. Compared to streamflow, reductions in DIN export

were much larger on a percentage basis, with the highest replacement scenarios decreasing long-

term mean DIN export by up to 15 and 20% for switchgrass and miscanthus respectively.

However, DIN export reductions were smaller at higher fertilizer application rates ( > 100 kg N

ha-1

) for switchgrass. These results indicate that, given targeted management strategies, there is

potential for miscanthus and switchgrass to provide key ecosystem services by reducing the

export of DIN, while avoiding hydrologic impacts of reduced streamflow.

4.2 Introduction

The Mississippi-Atchafalaya River Basins (MARB) will likely undergo significant land

use change with the implementation of commercial scale cellulosic biofuel feedstock production.

The U.S. 2007 Energy Independence and Security Act (EISA) has set in place mandates

requiring the majority of renewable fuels production to come from cellulosic feedstocks by 2022.

Production of the current dominant ethanol feedstock in the US, maize grain, is capped at 15

billion gallons per year by the Renewable Fuels Standard 2 (RFS2; EPA 2010). Production levels

are currently near capacity with nearly 40% of maize production in the MARB devoted to

ethanol production (Wallander et al., 2011). Numerous studies implementing a wide range of

statistical, empirical and numerical techniques have indicated that the leaching of excess nitrogen

fertilizer in the form of dissolved inorganic nitrogen (DIN) under current row crop production,

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especially the maize soy rotation, is a major driver of a serious environmental impact known as

the Gulf of Mexico hypoxic zone or “Dead Zone” (Rabalais et al., 1996; Goolsby et al., 2000,

2001; Donner et al., 2004a; Alexander et al., 2008; David et al., 2010; Turner et al., 2012 ).

As a result of the threat the hypoxic zone poses to benthic organisms and fisheries in this

region, The Mississippi Basin/Gulf of Mexico Task Force has set in place goals to reduce the

size of the hypoxic zone from the current size of ~ 20,000 km2 to < 5000 km

2 by the year 2015

(Mississippi River/Gulf of Mexico Watershed Nutrient Task Force 2008). It is predicted that

annual DIN export would have to decrease by 30 to 55% to meet this goal (Donner & Scavia

2007, Scavia & Donnelly 2007). It has been suggested that reducing nitrogen fertilizer

application by ~10% over the MARB could reduce DIN export by ~30%, approaching the EPA

target (McIsaac et al., 2001), however, it is uncertain how this change in management might

affect maize yields and comprise the ability to meet mandated production levels. Increasing

maize production beyond current levels to meet cellulosic ethanol production mandates is

predicted to increase in DIN leaching and the size of the Hypoxic Zone (Donner & Kucharik

2008; Secchi et al., 2011) exacerbating the environmental impacts. A potential option to meet

the mandated cellulosic production without increasing nutrient inputs while reducing the size of

the hypoxic zone is to convert a portion of the land in the MARB to produce cellulosic

feedstocks such as switchgrass and/or miscanthus (Heaton et al., 2008; Somerville et al., 2010).

The benefit of incorporating cellulosic plant material into the energy sector is to decrease

the demand for fossil fuels and the pollution they cause, especially with respect to CO2, a key

greenhouse gas (Intergovernmental Panel on Climate Change; IPCC, 2007; Davis et al., 2010;

RFS2). However, it is important to evaluate the production of cellulosic feedstock in the context

of environmental tradeoffs that may occur, particularly those related to the hydrologic cycle

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(Rowe et al., 2009). It has been shown that miscanthus and switchgrass take up more carbon

(Davis et al., 2010; Zeri et al., 2011), require less nutrient application (Heaton et al., 2004, 2010),

and leach less DIN (McIsaac et al., 2010, Smith et al., 2012) relative to annual crops and may

present opportunities for ecosystem services (Costello et al,. 2009; McIsaac et al., 2010; Ng et

al., 2010; Davis et al., 2012). Based on these previous findings and ecosystem model

simulations, it has been shown that substituting miscanthus or switchgrass production on land

that is currently under maize production for ethanol could reduce significantly reduce DIN

leaching and greenhouse gas (GHGs) emissions on a land surface basis (Davis et al., 2012).

However based on similar experiments it has been shown that both potential feedstocks use more

water (Hickman et al., 2010; McIsaac et al., 2010; VanLoocke et al., 2010, 2012) than current

vegetation which may result in environmental impacts including reductions in streamflow

(McIsaac et al., 2010). It has been shown that historical shifts in land use associated with

agricultural production have significantly altered the hydrologic cycle at the basin scale in the

MARB, with the transition from perennial grasslands in forests to annual croplands resulting in

less ET and greater runoff and streamflow (Twine et al., 2004, Zhang et al., 2006). Conversely,

if the hydrologic cycle is perturbed by an increase in rates of ET associated with miscanthus and

switchgrass, less water flowing though streams and rivers could potentially inhibit the transport

of goods, and result in higher concentrations of riverine pollutants, thereby degrading water

quality.

Current research focusing on water quantity and quality changes associated with

cellulosic feedstocks fits into three primary categories, 1) point measurements of nitrate

movement within the soil profile (McIsaac et al., 2010; Smith et al., 2012; Behnke et al., 2012),

2) watershed scale models that do not include mechanistic growth and physiology modules for

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miscanthus and switchgrass that have been directly validated against field observations of water

fluxes (Costello et al., 2009; Ng et al., 2010; Wu et al., 2012) and 3) or basin scale studies that

simulate changes in leaching but do not include the routing of DIN and runoff through the

MARB to the Gulf of Mexico (Davis et al., 2012). At the plot scale, miscanthus and switchgrass

were shown to have significantly lower DIN leaching relative to the maize/soy rotation in

Central IL, with fertilized (57 kg N ha-1

) plots of switchgrass showing little or no leaching after

reaching maturity (Smith et al., 2012). This reduction in leaching is attributed to the efficient

internal recycling of nutrients associated with perennial species resulting in relatively small

losses of nitrogen to the soil (Smith et al., 2012; Amougou et al., 2012). At the watershed scale,

cellulosic feedstock production is predicted to decrease DIN export (Ng et al., 2010) while

increasing cellulosic production. At the basin scale it has been shown that cellulosic production

could, depending on type of feedstock and management practice employed, reduce total MARB

leaching by up to 22% if maize production for ethanol was displaced by cellulosic feedstocks

(Davis et al., 2012). While these previous studies provided evidence for the potential ecosystem

services of transitioning to cellulosic production, it is yet to be established what the total change

to DIN export and stream flow from the MARB would be under such scenarios. Further,

because hydrologic processes are tightly coupled to the nitrogen cycle and are key drivers of

DIN transport in the MARB (Donner et al., 2002) and the hydrologic cycle is sensitive to land-

use-change (Twine et al., 2004), it is crucial to implement a model framework that has been

explicitly validated for the simulation of the hydrology for miscanthus and switchgrass, that is

also capable of simulating DIN leaching across the entire basin.

The goal of this study is to quantify the change in streamflow and DIN export for the

MARB under a range of large-scale cellulosic feedstock production scenarios. To accomplish

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this goal, a series of coupled simulations are conducted using the Integrated Biosphere Simulator

– Agricultural version (Agro-IBIS; Kucharik & Brye 2003) and the Terrestrial Hydrology Model

with Biogeochemistry (THMB; Coe, 1998, 2000; Donner et al., 2002) to produce a range of

large of scenarios aimed at addressing the scale of cellulosic feedstock production necessary to

meet the RFS2 mandate (Table 4.1). The scenarios consist of various fractions of the existing

agricultural landscape being replaced with miscanthus or switchgrass with a range of fertilizer

application rates including two scenarios where miscanthus or switchgrass (namely, maize

replaced with miscanthus ; MRX or switchgrass; MRS respectively) replace the ca. 40% of

maize grain currently going to ethanol. I hypothesize that introducing the production of cellulosic

feedstocks will 1) result in a reduction in streamflow proportional to the increase in ET through a

decrease in runoff and 2) result in a reduction in the export of DIN to the Gulf of Mexico

proportional to the decrease in DIN leaching associated with the various production scenarios. If

the change in DIN leaching is greater relative to the change in runoff, I also predict that 3) the

reduction in DIN export will be greater than the reduction in discharge within a given production

scenario. Because DIN leaching is greater in the more humid portions of the Midwest (Bukart et

al., 1999; Goolsby et al., 2000; Donner et al., 2004 Donner & Kucharik, 2008), I also predict that

4) the reduction in DIN export will be greater per unit area when miscanthus or switchgrass

replace corn/soy in more humid regions relative to dry regions. Finally since maize typically has

the highest rates of ET and DIN leaching (Donner et al., 2004) relative to the other major crops

in MARB, I predict that 5) the MRX and MRS scenarios will have minimal impacts on

streamflow while maximizing reductions in DIN export.

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4.3 Methods

4.3.1 Model procedure description

The model procedure used in this study builds off of previous implementations of Agro-

IBIS and THMB and their predecessors to study effects of land-use-change on streamflow and

biogeochemistry (e.g. Donner et al., 2002; Costa et al., 2003; Donner & Kucharik, 2008; Coe et

al., 2011). Agro-IBIS and THMB were run in a semi-coupled (Figure 4.1) set of simulations

(Table 4.1). The THMB simulations were run at 5 min x 5 min (~7 km x 9 km) spatial resolution

and were driven by using simulated monthly mean surface runoff, subsurface drainage and

leached DIN from a corresponding 0.5° x 0.5° Agro-IBIS grid cell. An Agro-IBIS spin-up

simulation was performed with natural vegetation to allow soil properties to reach a near

equilibrium (VanLoocke et al., 2010). A 1-year spin-up was conducted for the THMB

simulations to allow mass transport to reach a quasi-steady state. Simulations in both models

were run for a domain that encapsulated the MARB (50.75N to 28.75N; 75.75W to 115.25W).

This procedure has been validated previously for the simulation of streamflow and DIN export in

the MARB (Donner et al., 2002; Donner & Kucharik, 2003; Donner & Kucharik, 2008). A

description of the previous evaluations of THMB and Agro-IBIS against observations in

literature is provided in the respective model descriptions sections below.

A total of 54 simulations were conducted (Table 4.1). Simulations included a Baseline

scenario for model validation purposes with current land use and historic fertilizer application

rates and a Control scenario which was used as the comparison for the cellulosic feedstock

scenarios with approximation of current land use and fertilizer application rates as well as five

fraction coverage and five fertilizer application rates (25 simulations per feedstock). Finally two

simulations were conducted whereby miscanthus or switchgrass replace the ca. 40% of land

currently under maize production that is being used for ethanol production.

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4.3.2 Agro-IBIS description

Agro-IBIS is a physically-based dynamic vegetation model that has been adapted from

the original IBIS model (Foley et al., 1996; Kucharik et al., 2000) to simulate the

biogeochemical cycles and biophysical processes associated with the production and

management of most major US crops (Kucharik & Brye, 2003). Carbon and water exchange are

simulated on an hourly time step based on a biophysical/biochemical approach that includes the

C3 and C4 photosynthetic pathways and leaf physiology (Farquhar et al., 1980; Collatz et al.,

1991) and canopy scaling (Thompson & Pollard, 1995a,b). Total evapotranspiration is

calculated hourly by summing the fluxes of water vapor from transpiration and direct

evaporation from puddle, soil and leaf surfaces. Fluxes and pools of carbon and nitrogen (N) in

soil and plant matter are calculated daily. Soil N pools include soil organic and inorganic N and

DIN. The primary below-ground N dynamics represented in Agro-IBIS include denitrification

and immobilization yielding net mineralization as well as plant uptake of N from soil pools to

roots and the recycling of N from root litter, and the leaching of DIN accounting for nitrate

losses in subsurface drainage (Kucharik & Brye, 2003; Donner & Kucharik, 2003).

Aboveground, plant uptake of N is partitioned into the various biomass pools, which are recycled

in litter, and limitations are imposed on carboxylation efficiency when the availability of N is

sub-optimal (Kucharik & Brye, 2003; Donner & Kucharik, 2003). Canopy leaf area is updated

daily based on the mass of carbon allocated to leaves and the specific leaf area which varies

between crops (Kucharik, 2003). Phenology and carbon allocation are dynamic throughout the

growing season and are dictated by the accumulation of growing degree days or temperature

thresholds.

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Agro-IBIS requires hourly values of air temperature, humidity, solar radiation, and wind

speed to drive physical processes. These data were derived from a procedure that combined

climate data sets for University of East Anglia Climate Research Unit (New et la., 1999; Mitchell

& Jones, 2005) and the National Centers for Environmental Prediction-National Center for

Atmospheric Research reanalysis data (Kalnay et al., 1996; Kistler et al., 2001). Based on these

data, hourly values were generated using a statistical procedure that accounts for diurnal patterns

and relationships of atmospheric variables (Campbell & Norman, 1998). Soil texture in Agro-

IBIS is prescribed for 11 layers of varying thickness to a depth of 2.5 m based on the CONUS

soil dataset (Miller & White, 1998). Further description of Agro-IBIS, including its development

and implementation, have been presented in detail elsewhere (Foley et al,. 1996, Delire and

Foley 1999; Lenters 2000; Kucharik et al., 2000; Kucharik, 2003; Donner et al., 2004, Kucharik

& Twine 2007; Sacks & Kucharik, 2011).

The Agro-IBIS validation for the growth and function of current major crops (corn, soy,

wheat; Kucharik, 2003; Kucharik & Twine, 2007) as well as for miscanthus and switchgrass

(VanLoocke et al., 2010, 2012; Chapter 2 of this dissertation) has been described previously.

Specific evaluations relevant to this work include comparisons to numerous field-based

measurements of key N fluxes and pools for both aboveground and belowground dynamics

(Kucharik & Byre, 2003). Agro-IBIS simulated maize yields have been compared to US

Department of Agriculture yield observations across the Corn Belt (Kucharik, 2003). Simulated

maize and soybean fluxes have been evaluated against flux observations over numerous growing

season (Kucharik & Twine, 2007). Most recently Agro-IBIS simulation of miscanthus and

switchgrass hydrology was validated against observations of ET over multiple years using two

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independent methods, and showed strong agreement (VanLoocke et al., 2010, 2012; Chapter 3 of

this thesis).

4.3.3 THMB description

THMB simulates the storage, transport, and removal of water and nitrogen on an hourly

time step, based on monthly mean inputs of DIN leaching, surface runoff, subsurface drainage,

precipitation, and evaporation from surface waters at a 5 min x 5 min spatial resolution (Coe,

1998; Donner et al., 2002). Surface waters in THMB include rivers, wetlands, lakes, and

anthropogenic reservoirs. In THMB the transport of input water and nitrogen depends on local

topography as well as inputs from upstream grid cells. Dissolved inorganic nitrogen includes

NOx and NH3, because NOx represents > 95% of DIN reaching the Gulf of Mexico (Aulenbach et

al., 2007), THMB transports all DIN together. A portion of leached DIN is lost in the THMB

surface waters due to denitrification through the reduction of NO3 to N2 and N2O and is

dependent on river bed morphology, solute concentration, and water temperature (Donner et al.,

2004).

The ability of THMB and its predecessors, Surface Water Area Model (i.e. SWAM) and

Hydrological Routing Algorithm (i.e. HYDRA), to simulate streamflow (discharge) and nutrient

export has been tested in numerous studies, covering a wide range of scales and locations.

Evaluations at the global scale include comparison of simulations against annual mean discharge

and lake area for major global basins and lakes (Coe, 1998). Building off these evaluations, the

model was used to evaluate the accuracy of the surface hydrology in general circulation models

(Coe, 2000). At the continental scale, an evaluation of discharge and DIN export (NO3- yield)

the large internal subbasins within the MARB including comparison of simulated values to ca.

30 total US observation stations from the Geological Survey, National Water Service (USGS)

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and Global Monthly River Discharge Data Set (Donner et al., 2002) showed good agreement for

discharge. Evaluations of an updated version of the model for the Upper Mississippi River Basin

showed stronger correlation of discharge and DIN export to USGS observation in the basin

(Donner et al., 2003, 2004). In the most recent update to the model, simulations showed strong

agreement with USGS observed DIN export at near the outlet of the MARB (Donner &

Kucharik, 2008). From these studies, it can be concluded that discharge is generally simulated

more accurately than DIN export, and that errors tend to small for the largest basins, and increase

on a percentage basis as the basin size decreases. Variations in climate, denitrification within the

river water, and management are three of the major uncertainty and error sources in these

evaluations. Because this study focuses on relative differences, these major uncertainties are

essentially neutralized.

4.3.4 Land use

The fraction coverage in each 5 min x 5 min grid cell is aggregated based an integration

of a satellite-based dataset of total area in crop production with the USDA county-level data

(www.nass.usda.gov) for the area planted in major crops including maize, soybeans, spring and

winter wheat (Ramankutty et al., 2008), for a full description see Donner & Kucharik (2008).

The distribution of natural vegetation in the model domain was determined using vegetation

maps (Ramankutty & Foley, 1998) and the International Geosphere Biosphere Programmes’s 1-

km DISCover land cover data (Loveland & Belward, 1997). There is significant uncertainty

surrounding the future locations and intensity of production of cellulosic feedstocks. Because a

specific scenario is unavailable, I conducted a series of simulations at varying fraction coverages

for miscanthus and switchgrass (Table 4.1). These scenarios include even coverage across the

land currently in production of maize, soy, spring and winter wheat in the MARB domain

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(Figure 4.2a), as well as targeted replacement of existing maize/soy production, with the intent of

simulating the displacement of current maize production with cellulosic production (Figure

4.2b).

4.3.5 Management

In the baseline scenario each of the current crops were fertilized at historic rates and in

the control simulation the 2001 to 2005 average application rates were used (Donner &

Kucharik, 2008). The fertilizer input data is based on the USDA state-level agricultural chemical

use surveys (http://www.ers.usda.gov/Data/FertilizerUse/; Donner & Kucharik, 2008). Modern,

rather than historical fertilizer inputs were chosen for the Control run to represent the changes in

the system that would occur if perennials are to replace annuals moving forward, rather than the

changes that would have occurred over the last 30 years. With respect to the management of

perennial feedstocks, there is significant uncertainty surrounding the most likely application rates

of fertilizer in the management of switchgrass and miscanthus, therefore I conducted a series of

experiments at varying levels of fertilization (Table 4.1). This range includes the

recommendations based on study sites within the domain and in Europe for switchgrass as well

as experimental sites for miscanthus (Adler et al., 2007; Miguez et al., 2008; Varvel et al., 2008;

Schmer et al., 2008, Cadoux et al., 2012).

4.3.6 Model Validation

Because the various subbasins and crops have already been extensively validated in

numerous independent experiments, model validation in this study was only conducted for the

current mosaic of land cover at the main outlets of the MARB. Simulated annual mean

streamflow and DIN export from the Baseline scenario, which represents the current mosaic of

managed and unmanaged land use types in the region, were compared to observations by the

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USGS (Aulenbach et al., 2007) near the outlet of the MARB. Output from the nearest

corresponding THMB grid cell was compared to the USGS observations for the Mississppi River

at Tambert Landing, MS, Old River Outflow, and the Atchafalaya River at Simmersport, LA.

Simulated and observed values from 1980 to 2001 were summed from each of the respective

observation points to produce the total MARB DIN export (Figure 4.3a) and streamflow at the

outlet (discharge; Figure 4.3b).

4.4 Results

4.4.1 Comparsion of Streamflow and DIN Export in Baseline Simulation to Observations

The Baseline simulation (Table 1) reproduces the observed inter-annual variability and

long-term mean in discharge and DIN export from the Mississippi-Atchafalaya River Basin

(Figure 4.3a,b). Simulated annual mean DIN export corresponds well to the observations (model

= 0.84 obs + 0.10; r 2

= 0.95), with the overall simulated mean within 5% of the observed value

(Figure 4.3a). Simulated annual mean discharge captures the majority of observed inter-annual

variability (r 2

= 0.97) with a slight bias (model = 1.01 obs + 2722) and the overall simulated

mean ca. 12% greater than the observed mean (Figure 4.3b).

4.4.2 Comparison of Runoff in Control Simulation to Replacement Scenarios

The Agro-IBIS simulated total annual mean runoff (surface + subsurface) varies

significantly across the MARB for the Control simulation (Table 1), with values less than 50 mm

yr-1

in the driest and western-most portions of the domain and greater than 650 mm yr-1

near the

Gulf of Mexico outlet (Figure 4.4). The pattern of total annual runoff is similar to annual mean

precipitation across the Basin (data not shown), showing a general increase following the

gradient in precipitation from north to south as well as west to east. In the cellulosic replacement

scenarios (Table 1) runoff are similar for all the fertilizer application rates (data not shown) but

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varies widely between the various replacement levels, here I show the results for the various

replacement levels at the 0 kg N ha-1

scenarios(Figure 4.5). At the 5% replacement level, there is

less than 2% decreases in runoff for switchgrass, with miscanthus showing 2 to 4% reductions

relative to Control (Figure 4.5a,e) . Differences relative to Control in runoff are larger at greater

replacement levels, with switchgrass decreases ranging from 2 to 8% (Figure 4.5e-h) and

miscanthus from 4 to 10% (Figure 4.5a-d) respectively for the 15 and 25% replacement

scenarios. Compared to Control, throughout the Corn Belt (Iowa, Illinois, Indiana and Ohio), the

MRS scenario shows less than 4% decreases, while the MRX scenario shows 4-6% decreases in

the eastern portions, and up to 10% in the western portions of the Corn Belt in total runoff .

Neither the MRX nor MRS scenarios show any differences greater than 2% in total runoff

relative to Control in the southern portions of the domain near the Lower Mississippi (Figure 4.5

d,h). Miscanthus and switchgrass both show smaller changes in total runoff under the MRX and

MRS scenarios compared to Control than under the respective 25% replacement scenarios

(Figure 4.5 c-h). For all scenarios, on a percentage basis, the changes in runoff relative to

Control were largest in the drier Western portions of the domain (Figure 4.5), where the absolute

values of runoff in the control simulation tended to be the lowest (Figure 4.4).

4.4.3 Comparsion of DIN leaching in Control Simulation to Replacement Scenarios

Simulated annual mean DIN leaching also varies highly across the domain for the

Control simulation, with values less than 5 kg N ha-1

yr-1

throughout most of the unmanaged

portions of the domain, and values exceeding 50 kg N ha-1

yr-1

in eastern portions of the Corn

Belt which is dominated by the maize/soy rotation (Figure 4.6). Portions of the domain

dominated by maize production have the highest leaching rates, with portions where wheat or

soybean are dominant having generally lower leaching rates. Leaching rates typically increase

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with increasing runoff within regions of similar crop production (e.g. the Corn Belt), with

leaching rates 25 to 50% greater in the transect stretching from Eastern Illinois to Western Ohio

relative to the Eastern Nebraska and Iowa region (Figures 4.4 and 4.6).

In the cellulosic replacement scenarios, DIN leaching varies with both fertilizer

application level (data not shown) and replacement level. Given the large number of scenarios,

discussion of the dependence of DIN leaching on fertilizer application rate is presented only at

the basin outlet (section 4.4.6). In this section the results of the 0 kg N ha-1

fertilizer application

rates are shown. There is little variability across the domain for differences in DIN leaching

relative to Control within a given cellulosic replacement level, however, there are large

differences between scenarios, with the largest differences occurring at the highest replacement

levels (Figure 4.7). At the 5% replacement level, neither miscanthus nor switchgrass show

reductions in mean DIN leaching exceeding 5% compared to Control (Figure 4.7a,e), however as

replacement increases to 15%, both show decreases in DIN leaching over 10% (Figure 4.7b,f),

and at the 25% replacement level, there are portions of the domain showing decreases over 20%

(Figure 4.7c,g). The largest differences relative to Control in mean DIN leaching for both

miscanthus and switchgrass occur in the MRX and MRS scenarios, showing over 25% and 20%

reductions, respectively, across the majority of the Corn Belt (Figure 4.7d,h). As with runoff,

miscanthus has a larger decrease in DIN relative to switchgrass throughout the MARB (Figure

4.7).

4.4.4 Comparsion of Streamflow in Control Simulation to Replacement Scenarios

The THMB-simulated mean streamflow for the various rivers comprising the MARB

network show a range of flow rates spanning ca. 4 orders of magnitude, with the 4th

and 3rd

order

rivers/streams generally less than 500 m3/s, the 2

nd order rivers (e.g. Missouri, Ohio and

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Arkansas) in the 500 to 5,000 m3/s range, and the lower Mississippi and Atchafalaya ranging

5,000 to 30,000 m3/s (Figure 4.8). Similar to the results for runoff, there was little variability in

streamflow for the cellulosic replacement scenarios with fertilizer application rate (data not

shown).However, there were notable differences in streamflow relative to Control between the

various replacement levels. In the cellulosic replacement scenarios, mean streamflow was

reduced by less than 3% relative to Control across the domain at the lowest replacement level for

both miscanthus and switchgrass (Figure 4.9a,e). At the 15% replacement level, switchgrass

reductions relative to Control in mean streamflow are still less than 3% throughout the domain,

with miscanthus showing 3 to 6% reductions relative to control in portions of the upper Missouri

and surrounding tributaries (Figure 4.9b,f). At the 25% level compared to Control, there are still

very few rivers showing over 3% reductions in mean streamflow for switchgrass, however there

reductions of up to 6% in portions of the Missouri and Upper Mississippi rivers and surrounding

tributaries (Figure 4.9c,g). Similar to the pattern for runoff, the differences relative to Control in

streamflow are smaller in the MRX and MRS scenarios compared to the respective 25%

replacement scenarios (Figure 4.9c-h). The MRX scenario shows a small number of rivers with

differences over 3% compared toControl, while the MRS scenario differences in streamflow are

less than 3% throughout the domain. Overall differences in mean streamflow relative to Control

were greater for miscanthus compared to switchgrass, with the largest reductions occurring in 2nd

and 3rd

order rivers and corresponding to the areas of greatest decreases in runoff (Figures 4.5

and 4.9) however, reductions never exceeded 7% in any scenario.

4.4.5 Comparsion of DIN Export in Control Simulation to Replacement Scenarios

Simulated mean DIN export follows a pattern similar to stream flow for the Control

simulation, showing a similar distribution and range of values across the MARB (Figures 4.8 and

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4.10). As with streamflow, the DIN export ranges several orders of magnitude throughout the

various rivers in the MARB, with 3rd

and 4th

order rivers averaging between 500 and 5000 metric

tons yr-1

, with 2nd

rivers order are an order of magnitude larger, and the lower Mississippi

averaging up to 500,000 metric tons yr-1

(Figure 4.10). As with DIN leaching, only the 0 kg N

ha-1

scenarios are shown and discussion of the dependence of DIN export on fertilizer application

rate is presented only at the basin outlet (section 4.4.6).

Unlike the patterns seen for percent changes in streamflow for the cellulosic scenarios

(Figure 4.9), differences in mean DIN export relative to Control are quite evenly distributed

across the domain (Figure 4.11). At the 5% replacement level, both miscanthus and switchgrass

show an even distribution of 1 to 5% reductions in mean DIN export relative to the control

(Figure 4.11a,e). The higher replacement levels show greater differences in mean DIN export

compared to control, with the 15% replacement scenario showing reductions of 5 to 15% (Figure

4.11b,f) and the 25% replacement showing most rivers with at least 5% reductions throughout

the MARB with a portion of the rivers showing up to 15% reductions in the miscanthus

scenarios (Figure 4.11c,g). Following the pattern in mean DIN leaching, the largest differences

in mean DIN export occur in the MRX and MRS scenarios, with the majority of the domain

showing reductions greater than 5% for both scenarios and numerous rivers in the northern

portions of the MARB showing over 15% reductions relative to Control (Figure 4.11d,h).

Overall the percent reductions in DIN export compared to Control are ca. 3 times greater than

that for stream flow for the majority of the MARB (Figures 4.9 and 4.11).

4.4.6 Comparison of Monthly Mean Streamflow and DIN Export at the MARB Outlet

At the monthly time-scale, there is no appreciable shift in the pattern of total discharge at

the outlet of the MARB for either miscanthus or switchgrass across any of the scenarios (Figures

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4.12a and 4.12c respectively). For both miscanthus and switchgrass, the largest differences

relative to Control in mean discharge are in the 25% replacement scenario, but are limited to 1 to

2% for miscanthus (Figure 4.12a) and less than1% for switchgrass (Figure 4.12c). The

differences in mean DIN export are much larger relative to discharge for both species and for the

respective scenarios (Figures 4.12a,c and 4.12b,d). Similar to discharge however, there is no

appreciable shift in the pattern of monthly mean DIN export at the outlet of the MARB (Figure

4.12b,d). The largest differences compared to Control occur in May and June and the smallest

September through November for both species, with the MRX and MRS scenarios showing the

greatest reductions in mean DIN export for miscanthus and switchgrass respectively (Figure

4.12).

4.4.7 Comparison of Annual Mean Streamflow and DIN Export at the MARB Outlet

At annual time-scale, differences relative to Control in mean discharge at the outlet of the

MARB are small relative to mean DIN export for both miscanthus and switchgrass for the

various scenarios (Figure 4.13). In the miscanthus scenarios, the largest difference in mean

discharge is in the 25% replacement scenario with a ca 1.5% reduction relative to the Control

(Figure 4.13a). Switchgrass shows a similar pattern, however the difference compared to

Control for the 25% replacement scenario is less than 1% (Figure 4.13c). Neither miscanthus

nor switchgrass show appreciable differences in discharge between the 0 and 200 kg N ha-1

scenarios (Figure 4.13a,c). As a contrast, there are large differences between the Control and the

replacement scenarios for mean DIN export at the outlet of the MARB. Differences in mean

DIN export relative to Control increase with higher replacement scenarios, with the MRX and

MRS scenarios showing the largest reductions at ca. 20% and 16% for miscanthus and

switchgrass respectively (Figure 4.13b,d). Miscanthus shows no differences, while switchgrass

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shows up to 5% differences in mean DIN export between the 0 and 200 kg N ha-1

scenarios

(Figure 4.13b and 4.13d respectively). The 95% confidence intervals for discharge overlap for

all scenarios for both miscanthus (Figure 4.13c) and switchgrass (Figure 4.13d). Only the MRS

scenario shows no overlap in the 95% confidence interval between the Control and switchgrass

simulations (Figure 4.13d) while both the 25% and MRX scenarios show no overlap in the 95%

confidence interval for DIN export in the miscanthus scenarios (Figure 4.13d).

4.5 Discussion

The goal of this study was to simulate a range of basin-scale cellulosic feedstock

production scenarios to quantify the change in streamflow and DIN export for the MARB, a

region that is likely to undergo large-scale shifts in feedstock production to meet the goals of

RFS2 (EPA 2010). The results presented here support hypotheses 1 and 2 by showing that

increasing the production of the cellulosic feedstocks miscanthus and switchgrass will reduce

both the runoff of water and leaching of DIN, with proportional reductions in streamflow and the

export of DIN in the MARB. With respect to hypothesis 3, the analysis of my simulations

indicated that the reduction in DIN leaching was much larger relative to the reduction in runoff,

resulting in arguably negligible changes to streamflow and total MARB discharge relative to

changes in DIN export. The relative differences in runoff and DIN leaching varied between the

simulated scenarios, with higher fertilizer application rates resulting in smaller reductions in DIN

export in the switchgrass scenarios (Figure 4.13d). On a percent basis, simulated changes in DIN

leaching were similar across the domain for both miscanthus and switchgrass (Figure 4.7).

However, because the DIN leaching rates are larger in the more humid, eastern and southern

portions of the MARB (Figure 4.6), the change in the mass of leached DIN was greatest in these

regions, supporting hypothesis 4. The MRX scenario had the lowest mean DIN export of all the

miscanthus scenarios, and the change in mean discharge relative to Control was slightly less than

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the 20 and 25% replacement scenarios (Figure 4.13a,b), which supports hypothesis 5. Because of

the dependence of DIN export for switchgrass, the MRS scenario showed a smaller reduction

relative to Control for the 25% scenario (Figure 4.13d), which does not support hypothesis 5.

However, in the switchgrass scenarios, only the 5% replacement scenario showed a smaller

reduction in mean discharge relative to Control than MRS (Figure 4.13c), supporting hypothesis

5.

My simulations show notable reductions of ca. 15 and 20% reduction relative to Control

in long-term mean DIN export for the MARB in the MRS and MRX scenarios, respectively, with

changes in total discharge less than 1% for both scenarios (Figure 4.13). Similar to the findings

presented here, Davis et al. (2012) showed that replacing land currently under maize production

for ethanol in the Midwest US with cellulosic feedstocks could reduce nitrogen leaching by ca.

20% while providing almost double the biomass for ethanol production without decreasing maize

grain for feed production. The MRX and MRS scenarios both assumed an even distribution of

maize replacement. My results show that focusing replacement in key areas could maximize the

reductions in DIN export from the MARB, while minimizing impacts on streamflow. For

example, the combination of relatively high DIN leaching and low maize productivity relative to

miscanthus in the portions of the domain with highest precipitation suggest that transitioning to

cellulosic production in these regions may have the greatest potential to improve water quality,

while minimizing the impacts on water quality. While changes in total discharge were small

relative to DIN export at the outlet of the MARB, there were areas in the western, drier portions

of the basin were differences in runoff and streamflow were notable, especially in the higher

fraction replacement scenarios for miscanthus (Figures 4.5 and 4.9). My results show that

switchgrass has similar water use to maize in these regions (Figure 4.5h), therefore, replacing

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maize with switchgrass rather than miscanthus as a cellulosic feedstock in these areas could

minimize changes to streamflow (Figure 4.9).

My simulations indicated no significant change in DIN export across the 0 to 200 kg N

ha-1

fertilization scenarios for miscanthus while switchgrass had a ca. 25% increase in DIN in the

200 kg N ha-1

simulation relative to no fertilization. The model simulations resulted in all

applied N in miscanthus being taken up during the growing season and translocated to the

rhizome during senescence or removed with biomass at harvest; however, simulated nitrogen

uptake efficiency is lower for switchgrass (data not shown). These simulations agree with

measurements made in Central Illinois, where miscanthus and switchgrass averaged peak values

of ca. 340 and 170 kg N ha-1

during the growing season and declining to ca. 200 and 60 kg N ha-1

by December respectively in above ground biomass (Dohleman et al., 2012). The decrease in

above ground N is largely accounted for by the process of remobilization or translocation to the

roots and rhizomes where N is stored. The remaining N is lost through litter fall (Dohleman et

al., 2012). The remaining above-ground N would be removed from the agro-ecosystems N cycle

during harvest (Heaton et al., 2009; Dohleman et al., 2012) and would not be available for

leaching and export by the riverine waters.

The low leaching rates that result in the efficient uptake of N simulated here are

supported by the numerous studies that indicate miscanthus and switchgrass have the potential to

greatly reduce DIN leaching (Christian & Riche, 2006; McIsaac et al., 2010, Smith et al., 2012).

However, evidence also exists, that shows the potential for perennial grasses to efficiently take

up nitrogen is highly dependent on other factors including soil type (Behnke et al., 2012) and

successful establishment (Smith et al., 2012). In cases of poor establishment, leaching rates for

miscanthus have been shown to be similar to nearby plots in the maize/soy rotation (Smith et al.,

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2012). Variation of reported leaching rates under miscanthus and switchgrass have generally

been small which can be attributed to similar management and soil conditions for the research

plots (e.g. McIssac et al., 2010; Smith et al., 2012). However there is one study that has shown

that when management varies with increasing fertilizer application with there is significant

increases in DIN leaching which could be attributed to the sandy loam capped soils in the

research plots (Behnke et al., 2012).

This research is the first representation of altered land use to accommodate bioenergy

feedstocks that considers both streamflow and DIN export for the MARB. I have focused on

major hypothetical scenarios associated with the possibility of large-scale land use change

related to percentage fraction of land use conversion (5%-25%), nutrient applications rates (0-

200 kg/ha), biofuel feedstock (miscanthus and switchgrass), and type of current vegetation

replaced (existing major croplands in relative proportions or just replacing maize). These

scenarios, however, will need to be refined as the biofuel industry within the MARB matures.

First, given the long-term and large-scale focus of this study, I did not account for factors that

may increase the DIN leaching such as poor establishment and immaturity of the stand (Smith et

al., 2012). In addition, the timing of harvest has a significant effect on the C:N of biomass

(Heaton et al., 2009) and hence the mass of N removed at harvest, because I used a constant

harvest date for miscanthus and switchgrass, this factor was not accounted for this study. There

are also numerous socio-economic, agronomic, logistical, and policy factors that will influence

the selection and management crops to be produced on a given parcel of land that are not directly

considered in the current study. Given the large range of various factors that determine the

ultimate fate of maize grain from an individual parcel of land, I made the simplifying assumption

that the maize grain used for ethanol comes from an even distribution of land under maize

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production in the MARB. Also my method does not account for the potential for a feedback to

occur between the biosphere and atmosphere whereby changes in surface hydrology associated

with increased ET could affect local to regional climate in the (Georgescu et al., 2011). Due to

the nascent nature of the cellulosic industry each of these factors were considered beyond the

scope of this analysis.

To the authors’ knowledge, this is the first study to quantify changes in water quality and

water quality at the scale required to meet RFS2. My results indicated a significant potential to

reduce DIN export from the MARB under cellulosic feedstocks while having a relatively minor

impact on total discharge. However, even under the rather extreme scenarios of total

replacement of current maize ethanol with miscanthus or switchgrass, DIN export was reduced to

the EPA target levels for only a fraction of the years in my simulations. This suggests that

targeted production of cellulosic feedstocks within particularly sensitive portions of the MARB

is essential for maximizing the ecosystem services associated with their production. Therefore

cellulosic feedstocks for liquid bioenergy are an important strategy for reducing the Gulf of

Mexico “Dead Zone” that must be accompanied a long-term portfolio of environmental services

by agro-ecosystems in the future.

4.6 References

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bioenergy cropping systems. Ecological Applications, 17:675-691.

Alexander RB, Smith RA, Schwarz GE, Boyer EW, Nolan JV, Brakebill JW. 2008. Differences

in phosphorus and nitrogen delivery to the Gulf of Mexico from the Mississippi River

Basin. Environmental Science & Technology, 42:822-830.

Amougou N, Bertrand I, Cadoux S, Recous S. 2012. Miscanthus × giganteus leaf senescence,

decomposition and C and N inputs to soil. Global Change Biology – Bioenergy, doi:

10.1111/j.1757-1707.2012.01192.x.

Aulenbach BT, Buxton HT, Battaglin WA, Coupe RH. 2007. Streamflow and Nutrient Fluxes of

the Mississippi-Atchafalaya River Basin and Subbasins for the Period of Record Through

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biomass yields from production of Miscanthus × giganteus in Illinois USA. Bioenergy

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Cadoux S, Riche A, Yate NE, Machet JM. 2012. Nutrient requirements of Miscanthus ×

giganteus: Conclusions from a review of published studies. Biomass and Bioenergy,

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Biophysics, 2nd edn. Springer-Verlag, New York.

Christian DG, Riche AB. 2006. Nitrate leaching losses under Miscanthus grass planted on a silty

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Coe MT. 1998. A linked global model of terrestrial hydrologic processes: Simulation of modern

rivers, lakes, and wetlands. Journal of Geophysical Research-Atmospheres, 103:8885-

8899.

Coe MT. 2000. Modeling Terrestrial Hydrological Systems at the Continental Scale: Testing the

Accuracy of an Atmospheric GCM. Journal of Climate, 13:686-704.

Coe MT, Latrubesse EM, Ferreira ME, Amsler ML. 2011. The effects of deforestation and

climate variability on the streamflow of the Araguaia River, Brail. Biogeochemistry,

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4.7 Tables and Figures

Table 4.1. The fertilizer application rate and fraction of current cropland replaced for the

varying cellulosic feedstock production scenarios simulated.

1 Historic rates are input for each crop (maize, soybean, wheat) based on the USDA state-level

agricultural chemical use surveys (www.ers.usda.gov/Data/FertilizerUse).

2 Current rates are 2001-2005 average.

Fraction

Coverage

Scenario

Fraction Coverage

%

Fertilizer

Scenario

N-Fertilizer

Kg N m-2

Baseline NA NA Historic rates1

Control NA NA Current rates2

1 5 A 0

2 10 B 50

3 15 C 100

4 20 D 150

5 25 E 200

MRX 40% of maize MRX 0

MRS 40% of maize MRS 50

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Figure 4.1. Schematic representing the semi-coupled Integrated Biosphere Simulator –

agricultural version (Agro-IBIS) and Terrestrial Hydrology Model with Biogeochemistry

(THMB) process representation and workflow structure. Schematic presented here with

permission from Simon Donner.

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Figure 4.2. Fraction of each 5min x 5min THMB gridcell in cellulosic feedstock production

throughout the Mississippi-Atchafalaya River Basin (thick black outline) for the 25%

replacement of croplands (fraction coverage scenario 5; Table 1) (a) and 40% replacement of

land currently under maize production (MRX and MRS scenarios) (b).

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Figure 4.3. Observed (US Geological Survey Open-File Report 2007-1080) and simulated

(baseline scenario) dissolved inorganic nitrogen (DIN) export (a) and total annual discharge (b)

to the Gulf of Mexico for the 22-year period spanning1980 to 2001 and the mean over that

period. Values are the sum of DIN export of the Mississppi River at St. Francisville LA, and the

Atchafalaya River at Melville LA.

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Figure 4.4. Simulated annual mean total runoff (surface + subsurface) in the Mississippi-

Atchafalaya River Basin for the Control simulation over the 33-year period spanning 1970 to

2002.

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Figure 4.5. Simulated mean annual percent difference (scenario – Control) in total runoff in the

Mississippi-Atchafalaya River Basin for the miscanthus (a-d) and switchgrass (e-h) scenarios at

5% (a,e), 15% (b,f), 25% (c,g) replacment as well as the MRX (d), and MRS (h) cellulosic for

maize scenarios for the 33-year period spanning 1970 to 2002.

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Figure 4.6. Simulated total annual mean dissolved inorganic nitrate leaching (DIN) in the

Mississippi-Atchafalaya River Basin for the Control simulation over the 33-year period spanning

1970 to 2002.

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Figure 4.7. Simulated mean annual percent difference (scenario – Control) in DIN leaching in

the Mississippi-Atchafalaya River Basin for the miscanthus (a-d) and switchgrass (e-h) scenarios

at 5% (a,e), 15% (b,f), 25% (c,g) replacment as well as the MRX (d), and MRS (h) cellulosic for

maize scenarios for the 33-year period spanning 1970 to 2002.

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Figure 4.8. Simulated mean streamflow for the Mississippi-Atchafalaya River Basin for the

Control simulation over the 33-year period spanning 1970 to 2002.

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Figure 4.9. Simulated mean annual percent difference (scenario – Control) in streamflow in the

Mississippi-Atchafalaya River Basin for the miscanthus (a-d) and switchgrass (e-h) scenarios at

5% (a,e), 15% (b,f), 25% (c,g) replacment as well as the MRX (d), and MRS (h) cellulosic for

maize scenarios for the 33-year period spanning 1970 to 2002.

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Figure 4.10. Simulated annual mean DIN export in the Mississippi-Atchafalaya River Basin for

the Control simulation over the 33-year period spanning 1970 to 2002.

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Figure 4.11. Simulated mean annual percent difference (scenario – Control) in DIN export in the

Mississippi-Atchafalaya River Basin for the miscanthus (a-d) and switchgrass (e-h) scenarios at

5% (a,e), 15% (b,f), 25% (c,g) replacment as well as the MRX (d), and MRS (h) cellulosic for

maize scenarios for the 33-year period spanning 1970 to 2002.

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Figure 4.12. Simulated monthly mean total discharge (a,c) and DIN export (b,d) from the outlets

of the Mississippi-Atchafalaya River Basin over the 33-year period spanning 1970 to 2002 for

the Control as well as the miscanthus (a,b) and switchgrass (b,d) replacement scenarios.

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Figure 4.13. Simulated annual mean and percent change relative to Control with a 95%

confidence interval for discharge (a,b) and DIN export (b,d) at the outlet of the Mississippi-

Atchafalaya River Basin over the 33-year period spanning 1970 to 2002 for the Control, 0 kg

N ha-1

and 200 kg N ha

-1 fertilizer scenarios for the miscanthus (a,b) and switchgrass (c,d)

replacement scenarios. The dashed lines represent no change relative to Control.

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CHAPTER 5: GENERAL CONCLUSION

5.1 Summary

This dissertation has shown that key water-related agro-ecosystem services are likely to

be affected by land-use and global change throughout the 21st century. My analysis indicated

that increases in the tropospheric pollutant O3 are likely to decrease soybean yields

disproportionally relative to water use (i.e. evapotranspiration; ET), resulting in reductions in

water use efficiency (WUE). While the reduction in WUE was anticipated, it was not known

whether there was a threshold for this response, and whether current [O3] conditions in the

Midwest were in excess of this threshold. My results indicated no minimum threshold above the

ambient concentration was necessary to reduce WUE, suggesting that any increase in [O3] above

current levels will have an impact on this key ecosystem service.

In the broader context of global agriculture the reduction of WUE by O3 has important

implications on the functioning of agro-ecosystems beyond the contiguous US. Given that the

demand for clean fresh water is likely to increase in the future, it is essential to improve the

WUE of managed ecosystems (Wallace, 2000; Somerville et al., 2010). While environmental

regulations such as the Clean Air Act have led to improved emissions of O3 precursors in the US

(Dentener et al., 2010), other developing regions, such as Southeast Asia, may see the effects of

O3 more rapidly and severely unless action is taken to reduce emissions (Ren et al., 2007;

Ainsworth et al., 2012). However, in light of the recent major drought across the majority of the

US and the anomalously large number of high O3 days (US EPA, http://www.airnow.gov/;

Illinois EPA, http://www.epa.state.il.us/) including across major crop producing areas, it is likely

that O3 damage to plants will continue to be a significant issue in the US. Extending beyond the

US, major heat waves are likely to become increasingly common globally (Meehl et al., 2007)

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and have been accompanied by [O3] well above those imposed here, even in remote regions

(Fowler et al., 2008; Lei et al., 2012). Because other ecosystem types both natural and managed

show similar responses to O3 including decreases in WUE (McLaughlin et al., 2007; Wittig et

al., 2007, 2009; Ainsworth, 2008; Hoshika et al., 2012) and total carbon uptake (Sitch et al.,

2007; Ainsworth et al., 2012) the issue of O3 damage to vegetation and the interacting effects of

extreme climate events will likely continue to have a global impact.

The impacts of increasing [O3] under current climate conditions have been shown to be a

major factor on ecosystem services. However, they must be considered in the context of the full

system of global change. As anthropogenic activity continues to result in the consumption of

fossil fuels, any future increases in [O3] and temperature will be accompanied by increases in

CO2 concentration([CO2]) as well (Meehl et al., 2007). Elevated [CO2] increases photosynthetic

capacity and productivity for many vegetation types (Long et al., 2004, 2006; Ainsworth &

Long, 2005) and it has also been shown to mitigate the effects of O3 (Booker et al., 1997; McKee

et al., 2000; Ainsworth, 2008), and improve WUE (Fuhrer, 2003; Bernacchi et al., 2007; Leakey

et al., 2009, 2012).

Another key finding in this research was that there is the potential for cellulosic

feedstocks to increase the WUE of Midwest US agro-ecosystems. While previous studies have

shown that perennial crops such as miscanthus can obtain very high yields with a relatively small

increase in water use (Beale et al., 1999; Hickman et al., 2010), this is the first study to consider

WUE in the context of the total carbon uptake by the ecosystem (i.e. Biome WUE; BWUE).

Here I argue that future assessments of WUE as an ecosystem service should aim to address

BWUE as well as the traditional yield based metric.

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This study also showed the first basin-scale evidence that, in addition to providing an

ecosystem service by increasing WUE, transitioning to cellulosic feedstocks could potentially

improve water quality in the MARB and Gulf of Mexico. Of course these improvements in

water quality must be considered in the context of water quantity, especially given the recent

extreme drought in the Midwest US. My simulations indicated that reductions in nutrient export

were several times larger than the reductions in streamflow. This suggests that as long as

production is not concentrated to very high fraction coverages, the impact of increased ET

associated with miscanthus and switchgrass on decreasing runoff and streamflow is minimal,

especially in regions that receive more than ca. 1000 mm of precipitation per year. The focus of

the research on land-use-change for cellulosic feedstocks has focused on comparisons to or

replacements of annual row crops. Similar analyses are required to address the potential shifts in

water-related agro-ecosystem services in scenarios where other potential land types, such as land

currently not under agricultural production, are replaced by cellulosic feedstocks (Somerville et

al., 2010; Cai et al., 2011). While there are a very large and diverse set of factors that will

influence the evolution of cellulosic production across the landscape of the Midwest, the findings

presented here provide important evidence to be considered in the bio-energy decision making

portfolio.

5.2 Future work

The development of physically-based semi-mechanistic ecosystem and hydrology models

has allowed for the testing of critical scientific hypotheses at a scale that was once impossible to

capture. Though these tools have been widely applied and tested, a major effort to continue to

improve their capability to capture the relevant physical processes in manner that includes the

state-of-the-art scientific understanding is required. As algorithms become increasingly

complicated, and the hypotheses we wish to test become more demanding, the empirical data

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available to evaluate these models must keep pace. Key efforts in improving the simulation of

biogeochemical processes in these models include an expansion of high temporal resolution

field-base flux measurements, and high spatial resolution remotely sensed observations. The

most significant empirical contributions to the evaluation of model simulations will be data sets

that can simultaneously close all of the major components of biogeochemical cycles for a given

system, and those that have independent methods for measuring key components of the earth

system.

As new and improved data sources become available, the capability of models can be

expanded with confidence. An example related to this research is that it has examined the role of

land use and global change on water-related ecosystem services but has only focused on surface

hydrology. The interactions and feedbacks between vegetation at the land surface and the

atmosphere, and the strong influence they can have on local to regional meteorology and climate

has been documented by numerous studies (e.g. Pilke et al., 1991, 2002, 2006, 2011; Cotton &

Pielke, 1995, Copeland et al., 1996; Sellers et al., 1997; Stohlegren et al., 1998, Pielke 2001;

Adegoke et al., 2003). Therefore, in addition to the direct effects on water, many of the

described changes that are likely to result from land-use and global change may also impact

climate regulation by Midwest ecosystems (Raupauch et al., 1992; Bernacchi et al., 2011;

Georgescu et al., 2011; Anderson-Teixeira et al., 2012; Ainsworth et al., 2012).

The increased ET associated with highly productive cellulosic feedstocks, in combination

with changes in albedo, has the potential to have a significant impact on climate at a range of

scales (Georgescu et al., 2011; Anderson-Teixeira et al., 2012). To date the potential climate

implications of this shift have only been estimated indirectly through off-line (i.e. not coupled)

simulations (Anderson-Teixeira et al., 2012), or in simplified sensitivity studies that do not

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explicitly represent the dynamics of many biogeochemical and biophysical processes of agro-

ecosystems (Georgescu et al., 2011). A coupled climate-agro-ecosystem model is necessary to

provide the best estimate of the changes in climate regulation due to cellulosic feedstocks and is

the subject of future work.

It is also hypothesized here that the observed effects of increasing [O3] on vegetation

canopy fluxes could result in a feedback between the land-surface and the atmosphere on high

[O3] days (Figure 5.1). The primary atmospheric properties involved in this feedback are

atmospheric temperature and humidity and the depth of mixing that occurs in the boundary layer.

The main vegetation related processes in the feedback are canopy fluxes of heat and moisture,

and the uptake of O3 through the vegetation’s stomata. Tropospheric O3 production is greater at

higher temperatures, and water vapor is the primary sink of O3 in the troposphere (Jacob &

Winner, 2009). Therefore changes in canopy fluxes due to high [O3] that warm and dry the

atmosphere, such as decreased ET and increased sensible heat flux, can affect the production and

destruction of O3. In addition plants are an important sink of atmospheric boundary layer O3

(Jacob & Winner, 2009), because increasing [O3] decreases stomatal conductance, it may also

reduce the uptake of O3 by vegetation (Ainsworth et al., 2012). The coupling of vegetation

responses to O3 and climate may be especially strong during heat waves in large continuous

continental interiors (Sellers et al., 1997; Bernacchi et al., 2011; Ainsworth et al., 2012). The

result of these interactions may be a positive feedback for most of the major factors involved,

whereby the influence of O3 on vegetation drives atmospheric conditions conducive of higher

[O3]. Potential negative feedbacks to this system include a larger mixing volume due to warmer

and drier conditions increasing boundary layer depth, and the type and amount of O3 precursors

(Vogel et al., 1999).

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There is observational evidence that has linked fluctuations in climate to [O3], with warm

dry years having greater [O3] than relatively cooler and moister years (Camalier et al., 2007),

which supports the positive O3 feedback hypothesis. However it is unclear what role vegetation

may have played in these fluctuations. To address this uncertainty, a simplified first-order

approximation representing the potential for an O3-vegetation feedback is presented here.

Idealized simulations were conducted using the Weather Research and Forecasting (WRF) single

column model (Skamarock et al., 2008). A ten-day simulation with atmospheric boundary

conditions mimicking a heat wave was conducted for dryland cropland and pastureland surface

vegetation. To approximate the observed effect on canopy fluxes (Chapter 2 of this dissertation;

Bernacchi et al., 2011) a 10% shift in the Bowen ratio (i.e. the ratio of sensible to latent heat

flux), toward higher sensible heat flux was imposed on the model calculated fluxes (Figure 5.2).

Over the duration of the simulation, atmospheric temperatures became increasingly warm in the

experimental simulation relative to the control, with boundary layer temperatures 0.5 to 1.5 °C

warmer by the end of the simulated heat wave (Figure 5.3). In addition to warming the lower

troposphere, the shift in the Bowen ratio caused drying, with the lowest 1 km nearly 5% drier by

the end of the simulation (Figure 5.4). Finally, my simulations indicated that the warmer, drier

boundary layer in the experimental simulation was also deeper by 100 to 300 m (Figure 5.5).

The results of this sensitivity analysis indicate that the vegetation O3 response is large

enough to significantly alter atmospheric temperature and humidity. This evidence supports the

hypothesis that there is a feedback between vegetation and tropospheric O3. There are varying

estimates for the temperature response of [O3], it is anticipated that 1K change in surface

temperature could alter [O3] greater than 1ppb, with some studies showing a 3-6 ppb K-1

sensitivity (Rasmussen et al., 2012). Atmospheric specific humidity levels are generally

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anticipated to be higher (i.e. constant relative humidity) in a warmer climate (Held & Soden,

2000; Meehl et al., 2007) which may result in a greater sink for O3, the effect of O3 on reducing

ET and drying the atmosphere may also need to be considered in such assessments. This

analysis has only included the response of soybean to O3. While the plant response to O3 is

generally anticipated to be conserved amongst most C3 species, the response varies widely

depending on numerous factors, including vegetation type, phenology, and environmental

conditions (Ainsworth et al., 2012). Therefore, a coupled ecosystem-atmospheric chemistry

model with physically based and plant-specific responses to O3 is required to properly assess this

feedback. This tool is not currently available, but could be vital for adequately assessing

hypotheses related to scenarios of land use change. This makes the development of such a tool

an exciting avenue for future research.

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5.4 Tables and Figures

Figure 5.1. Schematic illustrating the potential positive feedback on ozone (O3) between

vegetation and the atmosphere, whereby increasing O3 concentrations ([O3)] result in less

evapotranspiration from vegetation, leading to warmer canopies. This effect can potentially act

as a feedback on [O3] in the atmospheric boundary layer, as warmer temperatures increase

reaction rates, and less water vapor results in less O3 destruction.

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Figure 5.2. Simulated sensible (H; red) and latent (LH: blue) heat fluxes for the land surface for

three days of an idealized WRF single column model simulation. Solid lines are the control

fluxes and dashed lines represent the experimental simulations, where a 10% shift in the Bowen

ratio (i.e. H/LH) was imposed.

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Figure 5.3. Time-height cross section of the simulated difference (experiment – control) in

atmospheric temperature (contoured; [°C]) between the experimental run where a 10% shift in

the Bowen ratio toward greater sensible heat flux was imposed to mimic the ozone response of

soybeans grown at approximately double background concentrations and the control run.

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Figure 5.4. The simulated difference (experiment – control; red line) in atmospheric water vapor

mixing ratio averaged for the lowest 1 km between the experimental run (Δ10%; dashed black

line) where a 10% shift in the Bowen ratio toward greater sensible heat flux was imposed to

mimic the ozone response of soybeans grown at approximately double background

concentrations and the control (solid black line) over the course of a ten-day idealized

simulation.

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Figure 5.5. Simulated boundary layer depth for a three-day period in the control (solid black

line) and experimental (Δ10%; dashed black line) for the simulations described above.