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