Dielectric and thermodynamic study of Carbon dioxide (CO₂) - methanol (CH₃OH) mixture

2022/03/10 by Raúl Fuentes-Azcatl, Fuentes-Azcatl, Raúl, Héctor Domínguez +1
Engineering · #FOS: Physical sciences #Phase Equilibria and Thermodynamics #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech)

paper · pdf · doi:10.48550/arxiv.2203.05498

openalex publication_date 2022/03/10 · openalex created_date 2022/04/03 · openalex updated_date 2026/07/28

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

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