Full Furnace Simulations and Optimization with …2016 AIChE Spring Meeting –28th Ethylene Producers’ Conference Houston, TX, April 13th, 2016 Change is inevitable 2 And it’s

Full Furnace Simulations and Optimization with COILSIM1D

Kevin M. Van Geem1

Alexander J. Vervust1

Ismaël Amghizar1

Andrés E. Muñoz G.2

Guy B. Marin1

1 Laboratory for Chemical Technology, Ghent University - www.lct.UGent.be2 AVGI – www.avgi.be

2016 AIChE Spring Meeting – 28th Ethylene Producers’ Conference Houston, TX,

April 13th, 2016

Change is inevitable

2

And it’s

usually for

the best!

Ethylene Producers’ Conference, Houston-TX, Apr 13th 2016

1977 2016

LCT’s steam cracking timeline

3

Pilot plant

starts operation

First simulations of

steam cracking

COILSIM1D’s GUI

implementation

First commercial

license sold

1974 1976 1978 2004 2015

First kinetics of

coke formation

2001 2006

Large expansion

of kinetic networkTLE model

2010

COILSIM3D,

continuous

expansion of

kinetic network,

…

Kinetic expansion;

Firebox and

convection models


2012 20162008

Implementation

of GCxGC

Pilot plant

revamped

First there was a coil…

4


Reactor Coil

Transfer Line ExchangerConvection section

Firebox

Long Flame Burners

Wall Burners

… and now the entire plant

5


Downstream

simulators

...

Upstream

simulators

…

Outline

• Introduction

• COILSIM1D: The Simulation Package

• New Features of COILSIM1D

• I/O files and Interfacing

• Conclusions

6


Outline

• Introduction




• Conclusions

7


Key elements of COILSIM

8

28th EPC, Houston, TX, April 13th, 2016

SIMCO

CRACKSIM

Furnace

SIMCO: Feedstock Reconstruction

• A detailed model requires a

detailed molecular composition

9


Gaseous feeds

Naphthas

Gas condensates

Kerosene

HVGO

VGO

…

Bulk properties /

Commercial indices

SIMCO

Molecular

feed composition

Detailed product

distribution

VOLATILITYPO

LARITY

nC12 nC13 nC14 nC15nC12

nC11

nC10

nC9

Biphenyl

Naphthalene

Validation by means of GCxGC

SIMCO: Feedstock Reconstruction

Input given via the GUI

10


Bulk properties :

• Average Molecular Weight

• Specific Density

• Elemental analysis

• PIONA

• Distillation data

• TBP

• ASTM D86

• ASTM D2887

Reactor definition

• Built-in library of commercial coil geometries

• ‘New coil Geometry’ tool:

• Dedicated correlations for enhanced heat transfer

of 3D geometries:

11


𝑵𝒖𝑫 = 0.242 𝑅𝑒𝐷0.645 𝑃𝑟0.4

𝑃

𝐷𝑒

−2.95 𝑅𝑒𝐷−0.23

𝐵

𝐷𝑒

0.0045 𝑅𝑒𝐷0.31

𝑇

𝑇𝑤

0.5

𝑵𝒖𝑫 = 4.11 𝑅𝑒𝐷0.326 𝑃𝑟0.4

𝑃

𝐷𝑒

−1.4 10−6 𝑅𝑒𝐷1.07

𝐷𝑖𝐷𝑒

Transfer Line Exchanger

• Various boundary conditions

• Dedicated condensation coke model

12


Simulation Strategies

13

Profiles:

• Process gas temperature

• Tube wall temperature

• Heat flux to coil

Outlet conditions:

• Common severity indices

• Yield maximization

• Sensitivity analyses


Simulation Strategies: Run length

14

Run length simulation:

• Dedicated radical coking modelso Catalytic regime can be included

• User-defined max TMT and/or max ΔP


Outline

• Introduction




• Conclusions

15


Kinetic Model for Steam Cracking

16

• Broadest kinetic model for steam crackingo 720+ molecules

o 43 radicals

o 300,000+ reactions

• Based on high level Ab initio data, and kinetics re-

fitted with experimental data (pilot and industrial)

Kinetic model 1D reactor model


Kinetic Model for Steam Cracking

17

• Extended to include oxygenates

• Validated with an extensive data set


Convection Section Model

1818

• Dedicated evaporation model

• Various configurations and tube materials supported

Geometry

Process streams

Flue gas side

Feed composition



Illustrative case

19

• Liquid feed, SIMCO reconstructed

• 72 different components

• Different mixing points



Demonstration case : Results

20

CIT : 580 °C

Bank name Duty pick up [MW]

Evaporator 7.28Economizer 5.95HTC 1 2.65HTC 2 2.53HPSS 1 2.48HPSS 2 2.78DSSH 2.89HTC3 3.53


Firebox Simulation Model

• Flexible model:

– Geometry

– Fuel composition

– Various input conditions

– Burner arrangements

21


Firebox, Reactor and TLE Simulation

• Illustrative Millisecond case:

Feed: 118.5 kg C3H8 / h

Dilution: 0.33 kg / kg

CIT: 630.5 °C

CIP: 2.35 bara

Fuel: 53.9 kg CH4 / h

22


Simulated process parameters:

COT: 879 °CTLE outlet T: 446 °CFurnace efficiency: 43.2 %Bridge-wall temperature: 1138 °C

Firebox, Reactor and TLE Simulation

23


Outline

• Introduction




• Conclusions

24


I/O files and interfacing

25

• Easy interaction with other software

• Human/machine readable I/O files:-Scripts for creation and result retrieval

of simulations.



Summary of main results displayed in GUI:

26



Plots for rapid result evaluation in GUI:

27



• Detailed result (output) files

• Easy to import in spread sheets

28



Batch simulations:- Manual (via GUI)

- Automated (via code scripts)

29

Clear overview of

performed simulations



Global plant optimization

Interface:– Translation of molecule names

– Extraction of process conditions

– Coordination of the interaction

30

Interface


Example: C2H6 cracker case (incl. recycle) with Aspen Plus®


31


Feed

100% C2H6

RecycleC2H6: 98.5 wt%

C2H4: 1.48 wt%

C3H6: 0.02 wt%

Inlet Effluent

H2: 6.00 wt%

CH4: 7.42 wt%

C2H2: 0.68 wt%

C2H6: 0.01 wt%

C2H4: 79.8 wt%

C3H6: 0.01 wt%

C4H6: 2.24 wt%

C6H6: 0.70 wt%

H2: 3.88 wt%

CH4: 4.80 wt%

C2H2: 0.44 wt%

C2H6: 34.8 wt%

C2H4: 52.2 wt%

C3H6: 0.50 wt%

C4H6: 1.45 wt%

C6H6: 0.46 wt%


RTO• Demonstration case carried out at

demonstration unit in China

• Integration in an external package for

control of the unit

32


Outline

• Introduction




• Conclusions

33


Wrapping up

• COILSIM1D can now simulate entire

furnaces, all in one package, with one click

• Flexible, user-friendly and accurate

simulations

• Easy interaction with third-party software

34


Questions?

35


Documents

Full Furnace Simulations and Optimization with …2016 AIChE Spring Meeting –28th Ethylene Producers’ Conference Houston, TX, April 13th, 2016 Change is inevitable 2 And it’s