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Regular version of the site

Article

Volume-based mixing rules for viscosities of methane + n-butane liquid mixtures

Fluid Phase Equilibria. 2019. Vol. 484. P. 98-105.
Pisarev V., Mistry S.

We present a study of viscosities of methane, n-butane and their mixtures by the non-equilibrium molecular dynamics simulations and derivation of semiempirical volume-based mixing rules. The Batchinski equation $\eta = C / (V - b)$ is used to describe the viscosities of pure components, with parameters fitted to reproduce molecular dynamics results. Cubic root, Arrhenius and Batchinski mixing rules are tested for mixtures. The viscosities of pure components used in mixing equations are expressed as functions of volume of component rather than pressure. This allows to apply the mixing rules to metastable and stable liquids, dense supercritical fluids and solutions of gas in liquid. To obtain volumes of components in mixture, molecular dynamics method is used. The mixing rules predictions are compared against direct non-equilibrium molecular dynamics calculations of mixture viscosities. The best agreement with the molecular dynamics data is found when Batchinski mixing is used. The proposed viscosity model predictions are in agreement with the experimental data on viscosities of methane-butane mixtures. The model can be used for the interpretation and interpolation of the experimental data on viscosities of liquids, which is demonstrated on the example of methane + propane system.