COSIA beyond solubility project meeting OLI Systems, Inc. 4 December 2018
Presentation outline Introductions Project review by phase Focus: modeling update & simulation presentation Final deliverable: guidelines and cases What’s next
Meet these objectives by Project introduction COSIA beyond solubility Business Objective To improve and extend simulation prediction capabilities of the oil sands chemistry in processes characteristic of oil sands treatment Technical Objective Beyond solubility, to address questions regarding the impact of both kinetics and surface complexation on simulation techniques for oil sands applications Meet these objectives by Simplified model development in kinetics and surface complexation Flowsheet simulations developed in OLI Flowsheet: ESP
Project accommodations AQSim (now OLI) retains joint ownership of Flowsheet: ESP case simulation techniques OLI acquired AQSim after proposal / before contract Final contract has been with OLI Systems, AJ Gerbino remained PI Start June 2018 End December 2018 (Jan 2019) AQSim provided in-kind funding to accommodate COSIA 2017 budget Cost Intellectual Property Organization Timing
COSIA project by phase Phase Description Deliverables 1.0 Framework Develop a lime softening private databank Develop a kinetic framework for slaking & silica removal COSIA-LS preliminary Flowsheet: ESP case to use as a template 2.0 Modeling Simplified modeling of surface complexation (needed OLI solver update) V9.6.2 released 30 November 3.0 Tuning Tuning with 2 case simulations CNRL and Nexen data used to check model Subject of this meeting Cases will be sent as 2 additional sample cases 4.0 Deployment Written guidelines documenting the method of developing a new case study Delivered by 15 December
Today’s plan Modeling phase discussion Tuning discussion Deployment discussion
Modeling Adsorption of SiO2 on MagOx with Surface Complexation Double Layer Model Protonation/deprotonation of surface on minerals: (i.e. XOH0 = MagOx) XOH0 + H3O+ = XOH2+ + H2O K+int = (𝐗𝐎𝐇𝟐+) 𝐗𝐎𝐇𝟎 𝒂𝑯𝟑𝑶𝒔+ XOH0 + H2O = XO- + H3O+ K-int= 𝐗𝐎− 𝒂𝑯𝟑𝑶𝒔+ 𝐗𝐎𝐇𝟎 Surface complexation with SiO2: XO- + HSiO3- + H3O+ = XO-SiO2- + 2H2O K1int = 𝐗𝐎−𝑺𝒊𝑶𝟐− 𝐗𝐎− 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ XOH0 + HSiO3- + H3O+ = XOH-SiO20 + 2H2O K2int= 𝐗𝐎𝐇−𝐒𝐢𝐎𝟐𝟎 𝐗𝐎𝐇𝟎 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ XOH2+ + HSiO3- + H3O+ = XOH2-SiO2+ + 2H2O K3int = (𝐗𝐎𝐇𝟐−𝐒𝐢𝐎𝟐+) 𝐗𝐎𝐇𝟐+ 𝒂𝑯𝑺𝒊𝑶𝟑𝒔− 𝒂𝑯𝟑𝑶𝒔+ Surface acidity constants axs (aH3Os, aHSiO3s): activities of species at the surface, which are related to bulk solution activities, axb, by axs= axb·[exp(-F/RT)]z where is surface potential F is Faraday constant z is charge of the ion adsorption binding constants Key parameters in DLM: K+int & K-int – based on acidimetric titration data & constrained by PZC K1int - K3int – based on adsorption data axb – determined by MSE thermodynamic model – calculated from DLM, as is related to surface charge density, , by = (8·R·TK··0·I·103)1/2·sinh[Z· ·F/(2·R·T)] can be determined from =F·(zi·Ci)/(A·S) A – specific surface area, m2/g S – solid concentration, g/kgH2O Ci – concentration (mol//kgH2O) of complex species
Demonstration of Results Coverage of experimental conditions - Temperature: 10 to 100C MagOx concentration used: 0 to 20,000ppm SiO2 concentration treated: 7 to 260 ppm Solution pH range: 6.3 to 11.5