VMGSim-A New Modeling Platform for Acid Gas Treating and S
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Virtual Materials GroupVirtual Materials Group
VMGSim - A New Modeling Platform for Acid Gas Treating and SulfurRecovery
James van der Lee, Raul Cota , Ryan Krenz, Glen Hay, Yau Kun Li, Marco Satyro, Gerald Jacobs, William Y. Svrcek,
Virtual Materials Group, Inc. Calgary, Alberta, CanadaBrimstone Sulfur Symposium – Vail, Colorado, September 12th - 15th 2006
Virtual Materials Group
Outline
• Brief Intro to Virtual Materials Group• Brief Intro to VMG Thermo• Brief Intro to VMGSim• Highlight VMGSim functionality• Highlight Amine functionality• Highlight Claus functionality• Examples
Virtual Materials Group
Virtual Materials Group Profile
• In-Depth knowledge of process simulation software development and support
• Extensive track record in thermodynamics applied to process simulation
• All partners involved in the creation of highly successful former simulation tools: HYSIM, HYSYS, HYPROP, DISTIL, GEM, IMEX
Virtual Materials Group
Strategic Partners
• Thermodynamics Research Center at the National Institute of Standards and Technology - Physical Property Databases
• Dr. Carl Yaws, Lamar University• CO-Lan• University of Calgary – Process Control
and Simulation Group
Virtual Materials Group
VMGThermo – VMG’s Bedrock
Carbon Dioxide / Ethane at 250 KBrown, T. S.; Kidnay, A. J.; Sloan, E. D., Fluid Phase Equilib., 1988, 40, 169.
1000
1200
1400
1600
1800
2000
2200
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00
Carbon Dioxide Mole Fraction
Pres
sure
, kP
a
Virtual Materials Group
VMGThermoAcid Gas Water
Content, Dewpoints and Hydrate Formation
Virtual Materials Group
VMGThermoWater content of acid gas (C1-CO2 shown) mixtures
Saturated Water Content CO2 Rich Mixtures - GPA RR-120
0
50
100
150
200
250
300
350
400
450
0 500 1000 1500 2000 2500 3000 3500 4000
Pressure, psia
Wat
er C
onte
nt, l
b/M
MSC
F
Pure C1 90°F CO2-rich 90°F CO2-rich 120°F CO2-rich 122°F
Virtual Materials Group
VMGThermoAcid gas components also affect hydrate formation
Natural gas with CO2 (Adisasmito and Sloan 1992)
0
2000
4000
273.00 278.00 283.00
Temperature (K)
Pres
sure
(kPa
)
0% 31.40% 66.85% 89.62%
Virtual Materials Group
VMGSimA Modern Steady-State Simulator
• Intersection of several technologies• VMGThermo Physical Property System• Next generation SIM42 Process Simulation Kernel• Microsoft Productivity Technologies (Visio, Excel,
Visual Basic, Graphical Controls)
• True Component Oriented Technology
Virtual Materials Group
Virtual Materials Group
Process Simulation Kernel
• State of the Art Chassis – Intelligent Information Propagation, Partial Information Flow and Degree of Freedom Handling
• Modern Software Architecture – Python• Easily wrapped as a Windows application• Easily extended to virtually any situation
Virtual Materials Group
Process Simulation Kernel• Non-sequential solver• Includes extensive Suite of Unit Operations• Chemical reaction parser• Advanced Tower Solution Algorithm• Supports multiple nested flowsheets and
subflowsheets
Virtual Materials Group
VMGSim - GUI
• The graphical user interface• Interacts with the Simulation Kernel
module via its COM interface• Optional interface to Microsoft office
components– Visio – Creation of process flow diagram,
PFD– Excel – Via the Excel Unit Operation.
Virtual Materials Group
Strengths of VMGSim
• Completely Interactive, bidirectional with partial information flow and degrees of freedom analysis
• Employs modern software technology with limitless potential for deployment
• Ease of Customization – OLE Automation/ActiveX• Incorporation of Excel as fully integrated unit
operation platform• Incorporation of Visio as graphics platform for GUI• Component-based architecture• Can be script driven or via other external programs
Virtual Materials Group
VMGSim – Extend and Customize
• Excel Unit Operation• SOP Operations (Script Unit Operations)• Call or view externally with VB or Com-like interface• Write directly in native Sim42 Python
Virtual Materials Group
VMGSim – Design/Rating Operations and Extensions
• Xchanger Suite from HTRI• STX and ACX from Heat Transfer
Consultants• API 520 Relief Valve Sizing• Single and Multiphase Pipe Flow• Distillation Tray Rating and Sizing• Vessel Design and Rating
Virtual Materials Group
Amines & Sulfur in VMGSim• Support for Amine and Sulfur starts with the
thermodynamic model– Specially developed property packages for both
process types• As mentioned any available unit operation in
VMGSim can be used with these property packages
• Amine process and Sulfur Recovery Units (SRU) both have special unit operation requirements– Amine – Tower Behavior, Information summary– SRU – Specialized Set of unit operations Furnace,
Converters, etc.
Virtual Materials Group
Amines Property Package• Detailed review and evaluation of
thermodynamic data necessary for amine plant modeling
• Detailed review and evaluation of mass transfer data necessary for CO2 and H2S efficiency estimation
• Boundary Conditions:– Able to model mixed amines– Able to model physical solvent blends, i.e., Selexol– Able to model other chemically actives compounds
(e.g. potassium carbonate)– Accurate physical and transport properties
Virtual Materials Group
Amines Property Package
• Gibbs free excess energy developed in-house:
ESR
EMR
ELR
E GGGG ++=
• Automatic selection of reaction sets based on components
( ) ( )∏=
=nc
ijii TKx ij
1
αγ
Virtual Materials Group
Amines Property Package• Data Regression Procedure• Extensive Data Evaluation from 1930 to 2006• Systematic Search for Outliers and Smoothed
Data• Systematic Regression of Water/Amine and
Water/Physical Solvent Pairs
( )∑=
+=np
iiCOiSH eeOF
1
2,2
2,2
EAcid
CAcid
Acid pp
e ln=
Virtual Materials Group
DEA / H2S ResultsH2S partial pressure dispersion Plot over DEA
1.00E-05
1.00E-04
1.00E-03
1.00E-02
1.00E-01
1.00E+00
1.00E+01
1.00E+02
1.00E+03
1.00E-04 1.00E-03 1.00E-02 1.00E-01 1.00E+00 1.00E+01 1.00E+02 1.00E+03
Experimental H2S Partial Pressure, psia
H2S
Calc
ulat
ed P
artia
l Pre
ssur
e, p
sia
R-3R-4R-6R-7R-9R-10
Virtual Materials Group
DEA / CO2 ResultsCO2 partial pressure dispersion Plot over DEA
1.00E-03
1.00E-02
1.00E-01
1.00E+00
1.00E+01
1.00E+02
1.00E+03
1.00E-04 1.00E-03 1.00E-02 1.00E-01 1.00E+00 1.00E+01 1.00E+02 1.00E+03
CO2 experimental partial pressure, psia
CO2
calc
ulat
ed p
artia
l pre
ssur
e, p
sia
R-3R-4R-5R-7R-8R-9
Virtual Materials Group
DEA / - CO2 and H2S ResultsCO2 and H2S Dispersion Plots over 2N DEA at 50 C - Lee, Otto and
Mather, 1974 - Model Amines++
0.01
0.10
1.00
10.00
100.00
1000.00
0.01 0.10 1.00 10.00 100.00 1000.00
Experimental acid gas partial pressure
Calc
ulat
ed a
ciid
gas
par
tial
pres
sure
H2SCO2
Virtual Materials Group
Amine Process Modeling
• Account for kinetic effects– Added several efficiency options to towers using
amine package• Auto Calculation
– Efficiencies calculated based on tray geometry, process conditions
– Included Option to estimate tower size using GPSA estimation methods
• Amine Default– Efficiencies set based on amine/mixture being used
– Exposed CO2 and H2S multipliers to user as an easy means to match plant data if necessary
Virtual Materials Group
Amine Process Modeling
• Tower Convergence – VMGSim automatically detects if an amine
tower is being used and automatically modifies the tower solution method to minimize or eliminate the need for user modification
• Added Amine Detail Unit Operation– Calculates amine specific parameters, mol
AG/ mol Amine, Amine weight % etc.
Virtual Materials Group
Why Model SRU’s?
Process Synthesis– Evaluate different process configurations– Heat & material balance
• Use for equipment design/rating • Infer information in difficult to measure parts of the
plant
• Process understanding– Evaluate different process configurations– Sensitivity Studies
Virtual Materials Group
Why Model SRU’s?
• Process Optimization– Evaluate different process configurations– Estimate optimum operating conditions
• Plant Operation, Monitoring and Optimization– Use model as training– Use model with plant data to act as soft sensor, infer
intermediate points etc– Adapt model provide suggestions on optimum
operating points based on current data
Virtual Materials Group
Claus Property Package• Developed in house property package
specifically for SRU models– Accurate Ideal Gas Gibbs Free Energies from 298 to
3000 K– Extensive Coverage – S1, S2, S3, S4, S5, S6, S7,
S8, light hydrocarbons, mercaptans, sulfides, oxysulfides, BTEX, H2S, CO2, CO
– Accurate VLE model includes water handling– Extensible VLE model can accommodate solubility of
gases in molten sulfur– Accurate enthalpy model– Accurate Transport Properties
Virtual Materials Group
Sulfur – Physical PropertiesIdeal Gas Gibbs Free Energy of Formation - Sulfur Species
0.00
100.00
200.00
300.00
400.00
500.00
600.00
700.00
800.00
900.00
1000.00
0.0 500.0 1000.0 1500.0 2000.0 2500.0 3000.0 3500.0
Temperature, K
Idea
l Gas
Gib
bs F
ree
Ener
gy o
f Fo
rmat
ion,
kJ/
mol
s1s2s3s4s5s6s7s8
Virtual Materials Group
Sulfur – Physical PropertiesSulfur (S1) Vapor Pressure
0.00
50.00
100.00
150.00
200.00
250.00
300.00
350.00
400.00
400 450 500 550 600 650 700
Temperature, K
Pres
sure
, kPa
LitVMG
Virtual Materials Group
Sulfur – Transport PropertiesLiquid Sulfur Viscosity
1
10
100
1000
10000
100000
0 100 200 300 400 500 600 700 800
Temperature, F
Vis
cosi
ty, c
P
SDBVMG
Virtual Materials Group
Sulfur – Transport PropertiesSulfur Liquid Thermal Conductivity
0.00
0.02
0.04
0.06
0.08
0.10
0.12
0.14
0.16
0.18
0.00 100.00 200.00 300.00 400.00 500.00 600.00 700.00
Temperature, F
Ther
mal
Con
duct
ivity
, BTU
/ft.h
.F
SDBVMG
Virtual Materials Group
SRU Modeling• Gibbs reactor basis for most SRU unit operations• Gibbs reactor also available in equilibrium reactor unit op
∑ ∑= =
⎟⎟⎠
⎞⎜⎜⎝
⎛+==
nPhases
j
nc
i ij
ijiij f
fRTGnnGg
1 10
0 ln
∑=
=nc
iiikk nab
0
∑ ∑= =
⎟⎠
⎞⎜⎝
⎛−+=
nElements
k
nc
iiikkk nabgf
1 1λ
0=⎟⎟⎠
⎞⎜⎜⎝
⎛∂∂
inf
∑ ∑= =
=nPhases
j
nc
iij nn
1 1
Virtual Materials Group
SRU ModelingSRU processes required a new set of unit
operations to be added, these include– Reaction furnace – Waste heat boiler– Catalytic Converter– Reheat Burner– Sulfur Heater– Hydrogenation Reactor– Sulfur Condenser– Selective Oxidation Reactor– Sulfur Detail
Virtual Materials Group
SRU Modeling
• The SRU unit operations were design to be user friendly and flexible– Multiple options to account for furnaces
kinetic effects– Multiple options to account for converter
conversions– Dew point margin calculated in the converter– Sulfur Detail provides convenient summary of
SRU streams, H2S:SO2 Ratio, DewPoint etc.
Virtual Materials Group
Amine & SRU Modeling in VMGSim
• Amine treating and SRU process models are built in the same way as any other process model is in VMGSim– Features available in VMGSim are available
with Amine and SRU models• You are free to build the models you want
– Add a feed, controller, heat exchanger etc. were you want it
– Match your exact plants layout
Virtual Materials Group
Amine & SRU Modeling in VMGSim
• Amine treating and SRU models can be included in the same case as can other process models– Investigate effect of variation of upstream unit
operations feeds, configurations, operating condition etc.
– Can use variables from upstream unit operations in Amine or SRU process control schemes
Virtual Materials Group
Complete Gas Plant Model
• Complete Gas Plant built in one simulation including:– Gas Gathering– Amine Sweetening– TEG Dehydration– Claus Plant– Liquid Recovery
• The best property package for the respective section can be used
Virtual Materials Group
Complete Gas Plant Model
• Since the different sections are seamlessly integrated, a change in the process will be propagated down stream
Virtual Materials Group
Virtual Materials Group
Virtual Materials Group
Virtual Materials Group
Virtual Materials Group
Virtual Materials Group
Implementing Custom Furnace Correlations
• Custom correlations can be implemented via the Excel Unit operation
• Does not require any coding• The Excel op acts as though it was any other
unit operation• Provides a high degree of flexibility • Allows complete control over the correlations
being used– Proprietary correlations– Based on plant data
Virtual Materials Group
Virtual Materials Group
Import Values From VMGSim
Perform Calculations in Excel
Export Results To VMGSim
Virtual Materials Group
Implementing Custom Correlations
• Can use built in case regression tool to fit correlation parameters given a set of data
• Can set up a case that would be used as a template
• Format and store data in Excel, input to case
Virtual Materials Group
Conclusions
• Gave summary of Virtual Materials Group• Gave summary of VMGThermo• Gave summary of VMGSim• Summarized the Amine modeling
capabilities in VMGSim• Summarized the SRU modeling
capabilities in VMGSim
Virtual Materials Group
Conclusions
• Presented a complete Gas plant model – Highlighted the benefits of this type of model
• Presented a model in which Custom Kinetic correlations were implemented in a SRU process– Demonstrated the flexibility of the VMGSim
modeling capabilities
Virtual Materials GroupVirtual Materials Group
VMGSim - A New Modeling Platform for Acid Gas Treating and SulfurRecovery
James van der Lee, Raul Cota , Ryan Krenz, Glen Hay, Yau Kun Li, Marco Satyro, Gerald Jacobs, William Y. Svrcek,
Virtual Materials Group, Inc. Calgary, Alberta, CanadaBrimstone Sulfur Symposium – Vail, Colorado, September 12th - 15th 2006
Virtual Materials Group
VMGThermo – VMG’s Bedrock
Example Applications• Dynamic process simulation – Albian Sands Operator Training
System• Turbine Performance Monitoring – General Electric &
RollsRoyce• Batch Distillation – Pharmacia, Eli Lilly• Relief System / Multiphase Flow – iPrism, PPM (Pressure
Protection Manager), Relief++, Pipeflo, Wellflo, • Heat Transfer Equipment Design – Xchanger Suite• Multiphase Flow – Wellflo and Pipeflo• Refinery Performance Monitoring – General Physics
Virtual Materials Group
VMGThermo – VMG’s Bedrock
• Expert Support on Fluid Phase and Physical Property Estimation
• Extensively and continuously validated• Consistent interaction parameters• Flash calculations used outside normal
process simulation realm – HV, Dynamic PH, Compressibility, Speed of Sound
Virtual Materials Group
VMGThermo – VMG’s Bedrock
• VMGThermo is the thermo-server for VMGSim
• Product is also marketed as a plug-in software component
• Clients range from engineering software firms to process equipment manufacturers to control system suppliers
• Offline and real-time applications