1. COSIA beyond solubility project meeting
OLI Systems, Inc.
4 December 2018

2. Presentation outline Introductions Project review by phase
Focus: modeling update & simulation presentation
Final deliverable: guidelines and cases
What’s next

3. 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

4. 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

5. 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

6. Today’s plan Modeling phase discussion Tuning discussion
Deployment discussion

7. 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

8. Demonstration of Results
Coverage of experimental conditions -
Temperature: 10 to 100C
MagOx concentration used: 0 to 20,000ppm
SiO2 concentration treated: 7 to 260 ppm
Solution pH range: 6.3 to 11.5