Prediction of thermodynamic properties of organic mixtures: Combining molecular simulations with classical thermodynamics
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DOI: 10.1016/j.fluid.2020.112759
Abstract: Abstract The binary interaction parameters of the nonrandom two liquid (NRTL) thermodynamic model are predicted for several organic mixtures using molecular simulations. Based on the theoretical framework of the two-fluid theory, the binary interaction parameters… read more here.
Keywords: thermodynamics; interaction parameters; organic mixtures; molecular simulations ... See more keywords