1. Opening new doors with Chemistry THINK SIMULATION! 24 th Conference October 23-24, 2007 ESP and the OLI Engine Updates Robert Young

2. THINK SIMULATION Think SIMULATION! 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

3. THINK SIMULATION Think SIMULATION! What Products Use the OLI Engine? Every OLI product uses the ENGINE ESP All of the Analyzers All Alliance Products UniSim OLI PROII Electrolytes Aspen OLI HYSYS OLI ScaleChem ProChem

4. THINK SIMULATION Think SIMULATION! Engine Updates Mixed-Solvent Electrolytes (MSE) Pseudo-components added Expanded databank 1328 species Organics added

5. THINK SIMULATION Think SIMULATION! Engine Updates (cont) Petroleum pseudo components A single pseudo-component Assays ASTM D86 data D1160 data D2887 data TBP data

6. THINK SIMULATION Think SIMULATION! Engine Updates (cont) Kinetics Reference State Equilibrium Constant Mole fraction reference state K-Value made available to Kinetic Interface

7. THINK SIMULATION Think SIMULATION! Engine Updates (cont) Transport Properties Gas Phase Added Viscosity Added Thermal Conductivity Added Diffusivities Liquid Phase Electrical Conductivity Diffusivities Viscosity

8. THINK SIMULATION Think SIMULATION! Engine Updates (cont) Calculation speed Added MSE two liquid phase initializer Added solid inclusion initializer

9. THINK SIMULATION Think SIMULATION! What is ESP? Environmental Simulation Program Plant flowsheeting program Sequential modular approach Available unit operations Mixer and Splitters Distillation Columns Reactors (including Bio-reactors) Neutralizers Heat Exchangers Compressors

10. THINK SIMULATION Think SIMULATION! ESP Updates Mass Transfer Limited Tower Calculation of Mass Transfer Coefficients Packed Towers (Billet and Schultes) Sieve Trays Bubble Cap Valve Trays User Added Mass Transfer Coef routine Calculation of Heat transfer Coefficient

11. THINK SIMULATION Think SIMULATION! Column Stage Vapor side draw Liquid side draw

12. THINK SIMULATION Think SIMULATION! Mass Transfer Limited Tower Vapor Moles Transferred N i =VMTC i *Area*(YB i -YI i ) Liquid Moles Transferred N i =LMTC i *Area*(XI i -XB i ) Where: N i - moles transferred VMTC i - Vapor side mass transfer coefficient LMTC i - Liquid side mass transfer coefficient Area - Interfacial area

13. THINK SIMULATION Think SIMULATION! Mass Transfer Limited Tower Vapor – Liquid Equilibrium YI i = K i *Xi i Mass Transfer Coefficient Calculation Packed towers Billet and Schultes TransIChemE, Vol 77 September 1999 Mass transfer coefficient is a function of: »Packing type and size »Transport properties »Phase density and flow rate

14. THINK SIMULATION Think SIMULATION! OLI Alliance Engine What is the OLI Alliance Engine? Callable Interface to OLI Engine Supports typical flash types Temp, Press Bubble point Dew point Vapor, Press Enthapy, Press Etc.

15. THINK SIMULATION Think SIMULATION! OLI Alliance Engine (Cont) Honeywells Unisim Supports both Aqueous and MSE models Contains OLI tower program Contains OLI mass transfer tower User Interface for OLI PRO Pseudo components and Assays Last update Sept 2007 (OLI version 7.0)

16. THINK SIMULATION Think SIMULATION! OLI Alliance Engine (Cont) Aspen Plus and OLI Supports Both Aqueous and MSE models Contains OLI Tower program Pseudo components and assays OLI Engine is a Property Option in Aspen Last update July 2007 (OLI version 7.0)

17. THINK SIMULATION Think SIMULATION! OLI Alliance Engine (Cont) Aspen HYSYS and OLI Supports Aqueous model Contains OLI Tower program Implemented as a fluid package Last update 2003 (OLI version 6.6)

18. THINK SIMULATION Think SIMULATION! OLI Alliance Engine (Cont) SimSci PRO/II Contains both Aqueous and MSE models Last update July 2006 (OLI version 7.0)