Dielectric and thermodynamic study of Carbon dioxide (CO$_2$) - methanol (CH$_3$OH) mixture

Abstract

In this paper is calculated and analyzed the dielectric behavior of carbon dioxidemethanol mixture and evaluate how the correct reproduction of the electrical properties of carbon dioxide and methanol influences the mixture of these two molecules. A comparison of two carbon dioxide models and three methanol models is made, where the CO 2 /ǫ model reproduces and improves the dielectric constant and for the methanol the TraPPE 2015 and MeOH-4P models improve the dielectric constant ǫ, the surface tension γ , and the liquid density ρ of the pure liquid at T=298.15 K and p=1 bar.