1. OLI Lithium Chemistry Initiative
February 2018

2. Agenda Introductions Client lithium requests
OLI current lithium capabilities
Lithium chemistry initiative

3. Client lithium requests
Ternary system (with H2O)
In mixtures with
Li2SO4
– NiSO4 
Nickel
Li2SO4         
– CaSO4
Calcium
Li2SO4  
– H2SO4
Hydrogen
- MgSO4
Magnesium
LiOH
- (NH4)SO4
Ammonium
- (NH4)2SO4
Various
Borate
LiNO3
To be determined
Nitrate
Li2MoO44
Molybdenum

4. Current lithium chemistry in OLI

5. Current lithium chemistry in OLI
Current chemistry coverage in the MSE databank
Fundamental sulfate – chloride systems
Li borate systems
Various systems related to Li processing
Systems related to battery electrolytes

6. Fundamental sulfate – chloride systems
Key systems for modeling Li-containing brines
Binary systems
Li2SO4
LiCl
Ternary systems
Li2SO4 + K2SO4
LiCl + KCl
Li2SO4 + Na2SO4
LiCl + NaCl
LiCl + MgCl2
LiCl + CaCl2

7. Lithium borate systems
With Borate
Lithium borate systems
Binary systems
LiBO2
Li2B4O7
LiB5O8
LiOH
Ternary systems
LiOH + H3BO3 including various lithium borate phases
Li borates + LiCl, NaCl
LiCl + H3BO3

8. Various Li systems Binary systems LiF Li2CO3 Ternary inorganic systems
Li2CO3 + LiOH
Li2CO3 + CO2
LiCl + CO2
LiCl + ZnCl2
SiO2(am) + LiCl
Ternary organic systems
LiCl + methanol, ethanol, formic acid

9. Systems related to battery electrolytes
Batteries
Solid-liquid equilibria
Systems related to battery electrolytes
Solutes
LiPF6
LiBF4
LiClO4
Solvents
Selected pure and mixed carbonates
Dimethylcarbonate
Diethylcarbonate
Ethylenecarbonate
Propylenecarbonate
Additional property: electrical conductivity
Electrical
conductivity

10. Summary
The MSE databank contains selected fundamental systems containing Li
Thermodynamic properties and transport properties (electrical conductivity) are accurately represented
Numerous industrially important systems are missing!
 Assess the gaps & develop priorities for thermophysical modeling

11. OLI Lithium Chemistry Initiative

12. Lithium Chemistry Initiative
OLI is investing in this important chemistry
Lithium: next OLI “flagship” chemistry
OLI is seeking interested industry participation
Early development of YOUR chemistry
Priority treatment in our implementation plan
Access to OLI validation spreadsheets for lithium

13. Lithium Chemistry Initiative
Why work with OLI?
Simulation is proven to cut cost, reduce risk
One-time investment reaps years of benefit
OLI framework is a proven delivery vehicle
OLI’s expertise will get the chemistry right
No other simulation company can do it
What’s in it for you?
Increase your competitive edge
Early to market
Access to OLI validation spreadsheets for lithium
Upgrade to OLI preferred client status

14. Questions? Is this something that you may want to pursue?
If yes, what are our next steps?