Virtual Materials Group Virtual Materials Group VMGSim - A New Modeling Platform for Acid Gas Treating and Sulfur Recovery 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, Canada Brimstone Sulfur Symposium – Vail, Colorado, September 12 th - 15 th 2006
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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
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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
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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
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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
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VMGThermo – VMG’s Bedrock
Carbon Dioxide / Ethane at 250 KBrown, T. S.; Kidnay, A. J.; Sloan, E. D., Fluid Phase Equilib., 1988, 40, 169.
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
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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%
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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
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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
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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
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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.
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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
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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
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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
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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.
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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
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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
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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=
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DEA / H2S ResultsH2S partial pressure dispersion Plot over DEA