OLI 35 th Anniversary User Conference October 5-6, 2005 It’s Not Magic… Just Great Technology ESP and the OLI Engine Updates Robert Young
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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
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
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
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
Engine Updates (cont)• Petroleum pseudo components
• A single pseudo-component• Assays
ASTM D86 dataD1160 dataD2887 dataTBP data
Engine Updates (cont)• Sublimation
• Generate equilibrium equationsSolid – Gas
• Non-linear equation solver
Engine Updates (cont)• Chemistry model size
• Dynamic array allocationsCases up to 1500 species
Engine Updates (cont)• Calculation speed
• New matrix inversion routines• New initializer• Improved solid inclusion algorithm
What is ESP?• Environmental Simulation Program
• Plant flowsheeting program• Sequential modular approach• Available unit operations
Mixer and SplittersDistillation ColumnsReactors (including Bio-reactors)NeutralizersHeat ExchangersCompressors
ESP Updates• Tear streams
• New algorithm for selecting tear streams• New Wegstein options• Added a damped Wegstein method• Added a Newton’s method
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
ESP Updates (cont)• Molecular flow reconstruction
• Added weighting factor • Example
True ionic composition100 moles H2O2 moles NAION2 moles CLION
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
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