Orientation to OLI Flowsheet: ESP

1. Orientation to OLI Flowsheet: ESP Starting a new case AQSim March 2017 Think simulation!

2. Agenda • Introduction to OLI, AQSim • Software • Technology • OLI Flowsheet: ESP overview • Onto the software!

3. Who is OLI? A Technology Company Mission: To further the electrolyte science • Core competency • Electrolyte thermodynamics • Experimental data mining and development • Process simulation • Aqueous corrosion science • Products • Software • Sponsored research

4. Who is AQSim? OLI Partner Company Mission: To empower clients to solve water chemistry issues • Using (exclusively) OLI technology • OLI applications consulting • OLI training • OLI software sales • Business Development Director for OLI • Worldwide except China, Japan, India, SE Asia

5. OLI Clients Broad spectrum of industries • Oil & Gas • Water treatment • Chemicals • Power / nuclear power • Metals and mining • Pulp and paper • Engineering companies • Research companies

6. Two OLI frameworks Aqueous (AQ) Strong electrolyte theory based on research of Debye-Huckel, Pitzer, and Bromley Mixed Solvent Elec (MSE) Aqueous & non-Aqueous electrolyte theoryA superset of the AQ Framework Thermodynamic range 90% of Critical Temperature 0 to 4000+ bar 0 to 1 mol fraction solute 2,700 species (Q1 2017) ~1050 solids ~770 organics 75 elements • Thermodynamic range • -50 to 300 C • 0 to 1500 bar • 0 to 30 molal ionic strength • 5,500 species database • ~2000 solids • ~2500 organics • 85 elements

7. OLI framework design • Speciation model • Liquid, vapor, and solid phases • Standard-state properties • Helgeson-Kirkham-Flowers-Tanger Equation of State for ionic and neutral aqueous species • Standard thermo-chemistry for solid and gas species • Excess properties Gibbs energy model • Solution non-ideality • Algorithms • For solving phase and chemical equilibria

8. Advances in the MSE framework • Kept the same Helgeson Equation of State • Added a more complex activity model • Debye – Huckel long range term • New ionic interaction (middle-range) term • Electrolytes ranging from dilute solutions  pure solutes • Short-range term for interactions • Between neutral molecules based on the UNIQUAC model • Modeling water as H3O+ and OH-

9. Chemistry Simulation with OLI Water chemistry behavior using the OLI Studio • Physical and chemical properties of multi-component systems • Solid-Liquid-Vapor-Organic equilibrium • Advanced mechanisms • Kinetics framework • Reduction / oxidation • Mass transfer • Surface reactions • Advanced properties • ORP • Osmotic Pressure, etc.

10. Flowsheet Simulation with OLI Process behavior using two-prong approach • Electrolyte primary: ESP Original • Developed by OLI consortium in 1990 • Supplanted by OLI Alliance Partner strategy • Couple OLI thermodynamics with other methods • Reach a broad flowsheet simulation market • Lessen the learning curve • Simsci, AspenTech, Honeywell, Andritz, PSE • Remains an active OLI strategy • Returning to Flowsheet: ESP • New product using ESP Original solver • Target: electrolyte flowsheets, e.g., water treatment

11. OLI Flowsheet: ESP content • V9.5.2 Available Blocks • Sixteen generalized blocks with many configurations • Standard: mixer, separator, flow splitter, settler, filter, heat exchanger • Advanced: neutralizer, component splitter, compressor, turbine • Multi-Stage: absorber, distillation (including mass transfer limited) • Future version • sensitivity, membranes, calculation, electrolyzer, extractor, precipitator, & others • Will not be ported • biotreatment, x-crystallizer

12. Orientation • Getting started: resources available • Many example templates • http://www.aqsim.com/esp-applications • Can work one-on-one to explain fine points • Conversion from ESP Original cases is easy • Starting a new case: focus for today • Specifying blocks and connections • Adding controllers • Challenge: working with multi-stage blocks

13. Questions? Let’s get started!