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 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/$\epsilon$ model reproduces and improves the dielectric constant and for the methanol the TraPPE 2015 and MeOH-4P models improve the dielectric constant $\epsilon$, the surface tension γ , and the liquid density \r{ho} of the pure liquid at T=298.15 K and p=1 bar.