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A Proposal for a New IUPAC Project on the Characterisation of Porous Solids Tim Mays Department of Chemical Engineering University of Bath United Kingdom June 2008. Background. - PowerPoint PPT Presentation
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A Proposal for a New IUPAC Project on theCharacterisation of Porous Solids
Tim Mays
Department of Chemical EngineeringUniversity of BathUnited Kingdom
June 2008
Background
• Current recommendations of the International Union of Pure and Applied Chemistry for the characterisation of porous solids were set out in 1994
• These have since proved to be invaluable to scientists and engineers with interests in porous solids
• However there have been many and varied developments in the area that have been made in the intervening period
• This is a proposal to establish a new IUPAC project on the characterisation of porous solids to update the 1994 recommendations in light of these developments
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant output since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant output since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Key References
Mays (2007) Studies in Surface Science and Catalysis 160 57
D.H. Everett and F.S. Stone, eds. The Structure and Properties of Porous Materials. Proceedings of the Tenth Symposium of the Colston Research Society, University of Bristol, 1958
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant output since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Proceedings ofCOPS Symposia
COPS-IVBath, 1996
COPS-VHeidelberg, 1999
COPS-VIAlicante, 2002
COPS-VIIAix-en-Provence, 2005
Proceedings of Workshops on the
Characterization of Porous Materials:From Ångstroms to Millimeters
Princeton, NJ, USA
Colloids Surf., A: Physicochemical and Engineering Aspects, 2001, 187 -188
Ibid., 2004, 241 Adv. Colloid Interface Sci., 1998, 76-77
First Workshop1997
Second Workshop2000
Third Workshop2003
Fourth Workshop2006
Ibid., 2007, 300
Alex Neimark
Fundamentals of Adsorption
1995 FOA-5 USA1998 FOA-6 France2001 FOA-7 Japan2004 FOA-8 USA2007 FOA-9 Italy
J. Rouquérol, F. Rouquérol and K. S. W. Sing, Adsorption by Powders and Porous Solids, Elsevier, Amsterdam, 1998
F. Schüth, K. S. W. Sing and J. Weitkamp, eds., Handbook of Porous Solids (Vols. 1-5), Wiley, Weinheim, 2002
Selected Books in the COPS Area
S. Lowell, J. E. Shields, M. A. Thomas and M. Thommes, Characterization of Porous Solids and Powders: Surface Area, Pore Size and Density, Kluwer, Dordrecht, 2004
More Books in the COPS Area
20001998
Project 2006-021-2-100Liquid Intrusion and Alternative Methods for the Characterization of Macroporous Solids
http://www.iupac.org/web/ins/2006-021-2-100[Accessed 5 June 2008]
ObjectiveTo analyse the various liquid intrusion techniques available to-day to assess the pore-size of materials (with special attention to the pores above 50 nm width), together with other alternatives, in order to provide (i) a critical and comparative appraisal and (ii) an appreciation about the ways which should be favoured and developed to solve the issue described hereafter.
Jean Rouquérol
Current IUPAC Project in COPS Area
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant activities since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Scope
solid
solid interfaces
pore
Characterisation involves the study of three main regions:
• Solid – structure, composition, …• Solid interfaces – structure, composition, …• Pores – size, shape, orientation, location, connectivity, tortuosity, …
• Link characteristics with formation and/or processing actual or predicted performance in applications
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant activities since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Areas for Updating
• Definitions, terminology, classification
• Methods
• Materials
P.E. Levitz, In: Handbook of Porous Solids, Vol. 1 (F. Schüth, K.S.W. Sing and J. Weitkamp, eds.), Wiley, Weinheim, 2002, pp. 37-80.
Pore Size – Definition
Not straightforward and will depend on method of measurement.
Pore Size – Classification
"… pore size has, arguably, the greatest or widest influence on the properties (and hence uses) of solids, compared to other parameters such as pore shape. It is therefore unquestionably useful and convenient to use pore size (or pore size distribution) as a means to characterise and compare different porous solids."
Mays (2007) Studies in Surface Science and Catalysis 160 57
Proposed new scheme
mi,r
hhfh,pnN
i
H ii
, 3, 2, 1,
d
lresidua
model
unknownisotherm localdata
Pore Size – DFT and Molecular Simulations
• Local isotherms (kernels of the generalised adsorption isotherm) now commonly obtained using density functional theory or molecular simulations
• Estimates of pore size distributions f(h) = f(w) depend critically on these kernels
Isotherm Classification
0 100 200 300 400 500 6000
1
2
3
4
5
6
7
8
9
10
298 K 313 K 328 K 343 K
nE /
mm
ol g
-1
p / bar
Herbst and Harting (2002), Adsorption 8, 111 CH4 on Norit N1 steam-activated, peat-derived,
extruded carbon pellets
Supercritical Adsorption
Large Pores
Mays, Rigby, et al. (2007). Cement & Concrete Research, 27, 1059
advanced separations
enhanced oil recoverybuilding materials
Catalyst characterisation: 3D micro-computed x-ray tomography image of a sol-gel silica pellet containing entrapped mercury following porosimetry (Rigby, 2004)
Methods
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant activities since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Process to Establish aNew IUPAC Project
• Process established in 2000 http://www.iupac.org/Projects E. D. Becker, Chemistry International, 23(1), 2001
• General criteria Projects should address one of the goals listed in the IUPAC
Strategic Plan Projects should be of international in scope and membership
and be related to the role of chemistry for the needs of mankind
• Key features Ideas → Proposal → Review → Resources → Task Group → Project Duration mormally 12-36 months Funding typically up to US$5,000 mainly for travel, subsistence and
administration costs Consultation / activities / outcomes / dissemination
Outline
• The 1994 IUPAC recommendations for the characterisation of porous solids
• Significant activities since 1994
• Scope of characterisation of porous solids
• Some areas to consider for updating the 1994 recommendations
• Process to establish a new IUPAC project
• Concluding remarks
Concluding remarks
• The time may be right to consider updating the 1994 IUPAC recommendations for the characterisation of porous solids
• Proposal for a new IUPAC project Recommendations for the Characterisation of Porous Solids (Phase 2?) under the Physical and Biophysical Chemistry Division (I)
• Link to Project 2006-021-2-100• Possible start date by end 2008• Could report at CPM-4 in 2009, FOA-10 in 2010 and
finally COPS-9 in 2011
• Next steps: Determine whether idea is supported If so then establish a Task Group and Chair Submit proposal
Acknowledgements
• Organisers and hosts of COPS-9
• Professor Brian McEnaney• Professor Ken Sing• Research colleagues
• Engineering and Physical Sciences Research Council, UK• University of Bath
Nigel Seaton