Phase behaviors of solid polymer electrolytes/salt system in lithium secondary battery by group-contribution method: The pressure effect

Predictive Molecular Thermodynamic Models for Liquid Solvents, Solid Salts, Polymers, and Ionic Liquids

“…The group interaction parameters were estimated between ions (Li + , Na + , K + , NH 4 + , Ca 2+ , Mg 2+ , Ba 2+ , Sr 2+ , Cu 2+ , Zn 2+ , Co 2+ , Ni 2+ , Hg 2+ , F -, Cl -, Br -, I -, NO It is evident that in these three kinds of models (i.e., the extended UNIFAC models), the UNIFAC model, in principle, may be replaced by the ASOG model, as proposed by Correa et al 211 Therefore, the ASOG model is combined with a Debye-Hu ¨ckel term to account for salt effects. In addition, there are some other predictive models suitable for solventsolid salt systems, as proposed by Huh and Bae (based on the modified double-lattice theory) 212,213 and by Lee et al 214 (based on a plausible scheme of superposing electrostatic interaction on the short-range nonelectrostatic interactions). But the group interaction parameters provided by them are too limited, and thus, they are rarely used.…”