OLI Lithium Chemistry Initiative

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Presentation transcript:

OLI Lithium Chemistry Initiative February 2018

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

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

Current lithium chemistry in OLI

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

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

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

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

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

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

OLI Lithium Chemistry Initiative

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

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

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