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OLI 35th Anniversary User ConferenceOctober 5-6, 2005
It’s Not Magic…Just Great Technology
ESP and the OLI Engine Updates
Robert Young
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What is the OLI Engine?
• Non-linear equation solver• Newton-Raphson method
• Thermodynamic property methods• Helgeson equation of state• Bromley activity coefficient model• MSE activity coefficient model• SRK equation of state
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What Products Use the OLI Engine?• Every OLI product uses the ENGINE
• ESP• All of the Analyzers• All Alliance Products
UniSim OLIPROII ElectrolytesAspen OLIHYSYS OLI
• ScaleChem• ProChem
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Engine Updates• Mixed-Solvent Electrolytes (MSE)
• New activity coefficient model• Internal units change
From molality to mole fraction
• Equilibrium equations (no H2O)• Two liquid phase
Both phases may contain electrolytes
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Engine Updates (cont)• Petroleum pseudo components
• A single pseudo-component• Assays
ASTM D86 dataD1160 dataD2887 dataTBP data
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Engine Updates (cont)• Sublimation
• Generate equilibrium equationsSolid – Gas
• Non-linear equation solver
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Engine Updates (cont)• Chemistry model size
• Dynamic array allocationsCases up to 1500 species
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Engine Updates (cont)• Calculation speed
• New matrix inversion routines• New initializer• Improved solid inclusion algorithm
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What is ESP?• Environmental Simulation Program
• Plant flowsheeting program• Sequential modular approach• Available unit operations
Mixer and SplittersDistillation ColumnsReactors (including Bio-reactors)NeutralizersHeat ExchangersCompressors
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ESP Updates• Tear streams
• New algorithm for selecting tear streams• New Wegstein options• Added a damped Wegstein method• Added a Newton’s method
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ESP Updates (cont)• Multiple chemistry models
• Master modelMust contain a master list of all species
• Subordinate modelsSubset of species in master modelDifferent solids selectionCould have kineticsCould have oxidation/reduction reactions
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ESP Updates (cont)• Molecular flow reconstruction
• Added weighting factor • Example
True ionic composition100 moles H2O2 moles NAION2 moles CLION
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ESP Updates (cont)• Molecular flows
Option 1 (assign weight to NACL)100 moles H2O2 moles NACL
Option 2 (assign weight to NAOH)98 moles H2O2 moles HCL2 moles NAOH