Full Furnace Simulations and Optimization with COILSIM1D

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University - www.lct.ugent.be 2 AVGI www.avgi.

1 Full Furnace Simulations and Optimization with COILSIM1D Kevin M. Van Geem 1 Alexander J. Vervust 1 Ismaël Amghizar 1 Andrés E. Muñoz G. 2 Guy B. Marin 1 1 Laboratory for Chemical Technology, Ghent University AVGI AIChE Spring Meeting 28 th Ethylene Producers Conference Houston, TX, April 13 th, 2016

2 Change is inevitable And it s usually for the best! 2

LCT s steam cracking timeline Pilot plant starts

of GCxGC Pilot plant revamped 1974 1976 1978 2001 2004

steam cracking First kinetics of coke formation Large

continuous expansion of kinetic network, COILSIM1D s

3 LCT s steam cracking timeline Pilot plant starts operation First commercial license sold Implementation of GCxGC Pilot plant revamped First simulations of steam cracking First kinetics of coke formation Large expansion of kinetic network TLE model COILSIM3D, continuous expansion of kinetic network, COILSIM1D s GUI implementation Kinetic expansion; Firebox and convection models 3

4 First there was a coil Transfer Line Exchanger Convection section Reactor Coil Wall Burners Firebox Long Flame Burners 4

5 and now the entire plant Upstream simulators Downstream simulators... 5

6 Outline Introduction COILSIM1D: The Simulation Package New Features of COILSIM1D I/O files and Interfacing Conclusions 6

7 Outline Introduction COILSIM1D: The Simulation Package New Features of COILSIM1D I/O files and Interfacing Conclusions 7

8 28th EPC, Houston, TX, April 13th, 2016 Key elements of COILSIM SIMCO Furnace CRACKSIM 8

9 SIMCO: Feedstock Reconstruction A detailed model requires a detailed molecular composition Bulk properties / Commercial indices Gaseous feeds Naphthas Gas condensates Kerosene HVGO VGO POLARITY Biphenyl Naphthalene nc10 nc9 nc11 nc12 nc13 nc14 nc15 nc12 VOLATILITY SIMCO Validation by means of GCxGC Molecular feed composition Detailed product distribution 9

10 SIMCO: Feedstock Reconstruction Input given via the GUI Bulk properties : Average Molecular Weight Specific Density Elemental analysis PIONA Distillation data TBP ASTM D86 ASTM D

11 Reactor definition Built-in library of commercial coil geometries New coil Geometry tool: Dedicated correlations for enhanced heat transfer of 3D geometries: Nu D = Re D Pr 0.4 P Nu D = 4.11 Re D Pr Re D 0.23 B Re D 0.31 D e D e T w P Re D D i D e D e T

12 Various boundary conditions Transfer Line Exchanger Dedicated condensation coke model 12

13 Simulation Strategies Profiles: Process gas temperature Tube wall temperature Heat flux to coil Outlet conditions: Common severity indices Yield maximization Sensitivity analyses 13

14 Simulation Strategies: Run length Run length simulation: Dedicated radical coking models o Catalytic regime can be included User-defined max TMT and/or max ΔP 14

15 Outline Introduction COILSIM1D: The Simulation Package New Features of COILSIM1D I/O files and Interfacing Conclusions 15

radicals 300,000+ reactions Based on high level Ab initio data,

16 Kinetic Model for Steam Cracking Kinetic model 1D reactor model Broadest kinetic model for steam cracking o o o 720+ molecules 43 radicals 300,000+ reactions Based on high level Ab initio data, and kinetics refitted with experimental data (pilot and industrial) 16

17 Kinetic Model for Steam Cracking Extended to include oxygenates Validated with an extensive data set 17

18 Convection Section Model Dedicated evaporation model Various configurations and tube materials supported Geometry Process streams Flue gas side Feed composition 18

19 Convection Section Model Illustrative case Liquid feed, SIMCO reconstructed 72 different components Different mixing points 19

20 Demonstration case : Results Convection Section Model Bank name Duty pick up [MW] Evaporator 7.28 Economizer 5.95 HTC HTC HPSS HPSS DSSH 2.89 HTC CIT : 580 C 20

21 Flexible model: Geometry Fuel composition Various input conditions Burner arrangements Firebox Simulation Model 21

Firebox, Reactor and TLE Simulation Illustrative Millisecond case: Feed: 118.

22 Firebox, Reactor and TLE Simulation Illustrative Millisecond case: Feed: kg C 3 H 8 / h Dilution: 0.33 kg / kg CIT: C CIP: 2.35 bara Fuel: 53.9 kg CH 4 / h 22

23 Firebox, Reactor and TLE Simulation Simulated process parameters: COT: 879 C TLE outlet T: 446 C Furnace efficiency: 43.2 % Bridge-wall temperature: 1138 C 23

24 Outline Introduction COILSIM1D: The Simulation Package New Features of COILSIM1D I/O files and Interfacing Conclusions 24

25 I/O files and interfacing Easy interaction with other software Human/machine readable I/O files: -Scripts for creation and result retrieval of simulations. 25

26 I/O files and interfacing Summary of main results displayed in GUI: 26

27 I/O files and interfacing Plots for rapid result evaluation in GUI: 27

28 Detailed result (output) files Easy to import in spread sheets I/O files and interfacing 28

29 I/O files and interfacing Batch simulations: - Manual (via GUI) - Automated (via code scripts) Clear overview of performed simulations 29

30 Global plant optimization I/O files and interfacing Interface Interface: Translation of molecule names Extraction of process conditions Coordination of the interaction 30

I/O files and interfacing Example: C 2 H 6 cracker case (incl. recycle) with Aspen Plus Feed 100% C 2 H 6 Recycle C 2 H 6 : 98.5 wt% C 2 H 4 : 1.48 wt% C 3 H 6 : 0.02 wt% Inlet Effluent H 2 : 3.

31 I/O files and interfacing Example: C 2 H 6 cracker case (incl. recycle) with Aspen Plus Feed 100% C 2 H 6 Recycle C 2 H 6 : 98.5 wt% C 2 H 4 : 1.48 wt% C 3 H 6 : 0.02 wt% Inlet Effluent H 2 : 3.88 wt% CH 4 : 4.80 wt% C 2 H 2 : 0.44 wt% C 2 H 6 : 34.8 wt% C 2 H 4 : 52.2 wt% C 3 H 6 : 0.50 wt% C 4 H 6 : 1.45 wt% C 6 H 6 : 0.46 wt% H 2 : 6.00 wt% CH 4 : 7.42 wt% C 2 H 2 : 0.68 wt% C 2 H 6 : 0.01 wt% C 2 H 4 : 79.8 wt% C 3 H 6 : 0.01 wt% C 4 H 6 : 2.24 wt% C 6 H 6 : 0.70 wt% 31

32 RTO Demonstration case carried out at demonstration unit in China I/O files and interfacing Integration in an external package for control of the unit 32

33 Outline Introduction COILSIM1D: The Simulation Package New Features of COILSIM1D I/O files and Interfacing Conclusions 33

34 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

35 Questions? 35

Oxygen-Containing Contaminants and Steam Cracking: Understanding their Impact Using COILSIM1D

Oxygen-Containing Contaminants and Steam Cracking: Understanding their Impact Using COILSIM1D Ismaël Amghizar 1, Andrés E. Muñoz G. 2, Marko R. Djokic 1, Kevin M. Van Geem 1, Guy B. Marin 1 1 Laboratory