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- W2012185754 abstract "A recent study of the CO2/C2H6 liquid mixtures has been extended to calculate the excess volume, excess enthalpy, and excess Gibbs free energy. An additional 60 molecular dynamics simulations were performed to calculate the excess properties accurately. Although the model gives accurate densities for the coexisting liquid mixtures at 269.25 K, the agreement with experimental excess properties is poor. The excess properties have the correct sign, but are too large (by a factor of 4 in the case of the excess volume). These differences are attributed to the model for CO2 which gives a coexisting pressure ∼1.2 MPa below its experimental value." @default.
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- W2012185754 date "1987-11-15" @default.
- W2012185754 modified "2023-10-03" @default.
- W2012185754 title "Computer modeling of molecular liquid mixtures. II. The excess properties of a diatomic Lennard‐Jones model mixture for CO<sub>2</sub>/C<sub>2</sub>H<sub>6</sub>" @default.
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- W2012185754 doi "https://doi.org/10.1063/1.453485" @default.
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