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• W2043303852 abstract "An extensive generalisation of the discrete perturbation theory for molecular multipolar non-spherical fluids is presented. An analytical expression for the Helmholtz free energy for an equivalent discrete potential is given as a function of density, temperature, and intermolecular parameters with implicit shape and multipolar dependence. By varying the intermolecular parameters through their geometrical and multipolar dependence, a set of molecular fluids are considered and their vapor-liquid phase diagrams are tested against available simulation data. Concretely, multipolar and non-polar Kihara and chainlike fluids are tested and it is found that this theoretical approach is able to reproduce qualitatively and quantitatively well the Monte Carlo data for the selected molecular potentials, except near the critical region." @default.
• W2043303852 created "2016-06-24" @default.
• W2043303852 creator A5006994534 @default.
• W2043303852 date "2014-06-17" @default.
• W2043303852 modified "2023-10-09" @default.
• W2043303852 title "Thermodynamic of fluids from a general equation of state: The molecular discrete perturbation theory" @default.
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• W2043303852 doi "https://doi.org/10.1063/1.4882897" @default.
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• W2043303852 hasPublicationYear "2014" @default.
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