Dielectric and thermodynamic study of Carbon dioxide (CO2_2) - methanol (CH3_3OH) mixture

preprint2022arXivOpen access

Abstract

In this paper is calculated and analyzed the dielectric behavior of carbon dioxide - methanol mixture and evaluate how the correct reproduction of the electrical properties of this molecules influences in the mixture of these two substances. A comparison of two carbon dioxide models and three methanol models is made, where the CO2/εε model reproduces and improves the dielectric constant and for the methanol the TraPPE 2015 and MeOH-4P models improve the dielectric constant εε, the surface tension γ , and the liquid density \r{ho} of the pure liquid at T=298.15 K and p=1 bar.

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