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.be
2 AVGI – www.avgi.be

2016 AIChE Spring Meeting – 28th Ethylene Producers’ Conference Houston, TX,
April 13th, 2016
 Ethylene Producers’ Conference, Houston-TX, Apr 13th 2016

Change is inevitable
1977 2016

And it’s
usually for
the best!

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

LCT’s steam cracking timeline

Pilot plant Implementation Pilot plant

starts operation First commercial of GCxGC revamped
license sold

COILSIM3D,
2016 continuous
1974 1976 1978 2001 2004 2006 2008 2010 2012 2015
expansion of
kinetic network,
…
First simulations of First kinetics of Large expansion TLE model
steam cracking coke formation of kinetic network

Kinetic expansion;
COILSIM1D’s GUI Firebox and
implementation convection models

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

First there was a coil…

Transfer Line Exchanger

Convection section

Wall Burners
Reactor Coil
Firebox

Long Flame Burners

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… and now the entire plant

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

Outline
• Introduction

• COILSIM1D: The Simulation Package

• New Features of COILSIM1D

• I/O files and Interfacing

• Conclusions
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Key elements of COILSIM

SIMCO Furnace

CRACKSIM

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SIMCO: Feedstock Reconstruction

• A detailed model requires a
detailed molecular composition Biphenyl

Gaseous feeds Naphthalene

nC12 nC13 nC14 nC15 nC12

Naphthas nC11

Gas condensates
Bulk properties /
Kerosene
Commercial indices HVGO nC10 ITY

PO
VGO IL
AT

LA
… L
nC9
VO

RIT
Y
SIMCO Validation by means of GCxGC

Molecular Detailed product

feed composition distribution

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SIMCO: Feedstock Reconstruction

Input given via the GUI

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: −0.23
−2.95 𝑅𝑒𝐷 0.31
0.0045 𝑅𝑒𝐷 0.5
𝑃 𝐵 𝑇
𝑵𝒖𝑫 = 0.242 𝑅𝑒𝐷0.645 𝑃𝑟 0.4
𝐷𝑒 𝐷𝑒 𝑇𝑤
1.07
−1.4 10−6 𝑅𝑒𝐷
𝑃 𝐷𝑖
𝑵𝒖𝑫 = 4.11 𝑅𝑒𝐷0.326 𝑃𝑟 0.4
𝐷𝑒 𝐷𝑒

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Transfer Line Exchanger

• Various boundary conditions
• Dedicated condensation coke model

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Simulation Strategies

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

Run length simulation:
• Dedicated radical coking models
o Catalytic regime can be included

• User-defined max TMT and/or max ΔP

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

Outline
• Introduction

• COILSIM1D: The Simulation Package

• New Features of COILSIM1D

• I/O files and Interfacing

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

Kinetic Model for Steam Cracking

Kinetic model 1D reactor model

• Broadest kinetic model for steam cracking

o 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)
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Kinetic Model for Steam Cracking

• Extended to include oxygenates
• Validated with an extensive data set

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Convection Section Model

• 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
• Liquid feed, SIMCO reconstructed
• 72 different components
• Different mixing points

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Convection Section Model

Demonstration case : Results

Bank name Duty pick

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

CIT : 580 °C

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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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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

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Outline
• Introduction

• COILSIM1D: The Simulation Package

• New Features of COILSIM1D

• I/O files and Interfacing

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

I/O files and interfacing

• 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)

Clear overview of
performed simulations

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I/O files and interfacing

Global plant optimization

Interface

Interface:
– Translation of molecule names
– Extraction of process conditions
– Coordination of the interaction

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I/O files and interfacing

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

Recycle
H2: 6.00 wt%
C2H6: 98.5 wt%
CH4: 7.42 wt%
C2H4: 1.48 wt%
C2H2: 0.68 wt%
C3H6: 0.02 wt%
C2H6: 0.01 wt%
C2H4: 79.8 wt%
C3H6: 0.01 wt%
Inlet Effluent C4H6: 2.24 wt%
C6H6: 0.70 wt%
Feed
100% C2H6
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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 Ethylene Producers’ Conference, Houston-TX, Apr 13th 2016

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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