Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

ABSTRACT

Experimental values for the carbon dioxide solubility in eight pure electrolyte solvents for lithium ion batteries - such as ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), ethyl methyl carbonate (EMC), diethyl carbonate (DEC), a-butyrolactone (aBL), ethyl acetate (EA) and methyl propionate (MP) - are reported as a function of temperature from (283 to 353) K and atmospheric pressure. Based on experimental solubility data, the Henry's law constant of the carbon dioxide in these solvents were then deduced and compared with reported values from the literature, as well as with those predicted by using COSMO-RS methodology within COSMOthermX software and those calculated by the Peng-Robinson equation of state implemented into Aspen plus. From this work, it appears that the CO2 solubility is higher in linear carbonates (such as DMC, EMC, DEC) than in cyclic ones (EC, PC, aBL). Furthermore, the highest CO2 solubilities were obtained in MP and EA solvents, which are comparable to the solubility values reported in classical ionic liquids. The precision and accuracy of the experimental data, considered as the percent of the relative average absolute deviations of the Henry's law constants from appropriate smoothing equations and from literature values, are close to (1 and 15) %, respectively. From the variation of the Henry's law constants with temperature, the partial molar thermodynamic functions of dissolution such as the standard Gibbs energy, the enthalpy, and the entropy are calculated, as well as the mixing enthalpy of the solvent with CO2 in its hypothetical liquid state.