A Molecular Dynamics Study of the Liquid Mixture CHCl3/CCl4 on the Basis of Lennard-Jones Type Potentials
作者： C. Hoheisel , U. Deiters
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摘要: The liquid mixture CHCl3/CCl4 is investigated by molecular dynamics calculations based on (18–6) Lennard-Jones type potentials. Self-diffusion coefficients are in good agreement with experiment over the whole concentration range, and thermodynamic results satisfactory compared calculated values obtained a semiempirical method due to Redlich Kwong.—The pair-distribution functions show usual behaviour typical of “Lennard-Jones liquids”. Die flussige Mischung wurde anhand von molekulardynamischen Rechnungen mit Lennard-Jones-(18–6)-Potentialen untersucht. Die berechneten Selbstdiffusionskoeffizienten stimmen im ganzen Konzentrationsbereich gut uberein experimentellen Werten. thermodynamischen Ergebnisse sind zufriedenstellend Vergleich semiempirisch nach und Kwong Daten.—Die Paarverteilungsfunktionen zeigen das fur “Lennard-Jones-Flussigkeiten” gewohnliche Verhalten.
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