full furnace simulations and optimization with …2016 aiche spring meeting –28th ethylene...
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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
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Change is inevitable
2
And it’s
usually for
the best!
Ethylene Producers’ Conference, Houston-TX, Apr 13th 2016
1977 2016
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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
Ethylene Producers’ Conference, Houston-TX, Apr 13th 2016
2012 20162008
Implementation
of GCxGC
Pilot plant
revamped
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First there was a coil…
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Reactor Coil
Transfer Line ExchangerConvection section
Firebox
Long Flame Burners
Wall Burners
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… and now the entire plant
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Downstream
simulators
...
Upstream
simulators
…
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Outline
• Introduction
• COILSIM1D: The Simulation Package
• New Features of COILSIM1D
• I/O files and Interfacing
• Conclusions
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Outline
• Introduction
• COILSIM1D: The Simulation Package
• New Features of COILSIM1D
• I/O files and Interfacing
• Conclusions
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Key elements of COILSIM
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SIMCO
CRACKSIM
Furnace
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SIMCO: Feedstock Reconstruction
• A detailed model requires a
detailed molecular composition
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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
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SIMCO: Feedstock Reconstruction
Input given via the GUI
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Bulk properties :
• Average Molecular Weight
• Specific Density
• Elemental analysis
• PIONA
• Distillation data
• TBP
• ASTM D86
• ASTM D2887
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Reactor definition
• Built-in library of commercial coil geometries
• ‘New coil Geometry’ tool:
• Dedicated correlations for enhanced heat transfer
of 3D geometries:
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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
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Transfer Line Exchanger
• Various boundary conditions
• Dedicated condensation coke model
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Simulation Strategies
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Profiles:
• Process gas temperature
• Tube wall temperature
• Heat flux to coil
Outlet conditions:
• Common severity indices
• Yield maximization
• Sensitivity analyses
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Simulation Strategies: Run length
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Run length simulation:
• Dedicated radical coking modelso Catalytic regime can be included
• User-defined max TMT and/or max ΔP
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Outline
• Introduction
• COILSIM1D: The Simulation Package
• New Features of COILSIM1D
• I/O files and Interfacing
• Conclusions
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Kinetic Model for Steam Cracking
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• 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
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Kinetic Model for Steam Cracking
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• Extended to include oxygenates
• Validated with an extensive data set
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Convection Section Model
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• Dedicated evaporation model
• Various configurations and tube materials supported
Geometry
Process streams
Flue gas side
Feed composition
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Convection Section Model
Illustrative case
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• Liquid feed, SIMCO reconstructed
• 72 different components
• Different mixing points
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Convection Section Model
Demonstration case : Results
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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
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Firebox Simulation Model
• Flexible model:
– Geometry
– Fuel composition
– Various input conditions
– Burner arrangements
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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
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Simulated process parameters:
COT: 879 °CTLE outlet T: 446 °CFurnace efficiency: 43.2 %Bridge-wall temperature: 1138 °C
Firebox, Reactor and TLE Simulation
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Outline
• Introduction
• COILSIM1D: The Simulation Package
• New Features of COILSIM1D
• I/O files and Interfacing
• Conclusions
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I/O files and interfacing
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• Easy interaction with other software
• Human/machine readable I/O files:-Scripts for creation and result retrieval
of simulations.
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I/O files and interfacing
Summary of main results displayed in GUI:
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I/O files and interfacing
Plots for rapid result evaluation in GUI:
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I/O files and interfacing
• Detailed result (output) files
• Easy to import in spread sheets
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I/O files and interfacing
Batch simulations:- Manual (via GUI)
- Automated (via code scripts)
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Clear overview of
performed simulations
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I/O files and interfacing
Global plant optimization
Interface:– Translation of molecule names
– Extraction of process conditions
– Coordination of the interaction
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Interface
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Example: C2H6 cracker case (incl. recycle) with Aspen Plus®
I/O files and interfacing
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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%
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I/O files and interfacing
RTO• Demonstration case carried out at
demonstration unit in China
• Integration in an external package for
control of the unit
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Outline
• Introduction
• COILSIM1D: The Simulation Package
• New Features of COILSIM1D
• I/O files and Interfacing
• Conclusions
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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
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Questions?
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