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

Raúl Fuentes-Azcatl; Hector Dominguez

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arXiv · 2203.05498

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

Raúl Fuentes-Azcatl·Hector Dominguez

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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 {\gamma} , and the liquid density \r{ho} of the pure liquid at T=298.15 K and p=1 bar.

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Raúl Fuentes-Azcatl, Hector Dominguez. 2022-03-10. Dielectric and thermodynamic study of Carbon dioxide (CO$_2$) - methanol (CH$_3$OH) mixture. https://arxiv.org/abs/2203.05498

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