Molecular Basis of Activity Coefficient (isobaric- Isothermal Ensemble Approach)
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چکیده
Mansoori, G.A., 1980. Molecular basis of activity coefficient (Isobaric-isothermal ensemble approach). Fluid Phase Equilibria, 4: 61-69. Through the application of isobaric-isothermal (NPT) ensemble theory, molecular relations for thermodynamic properties of mixtures are derived with pressure and temperature as the independent variables. Use of the NPT-ensemble approach has made it possible to derive exact molecular thermodynamic relations for activity coefficients of mixtures in the form of the Redlich-Kister power series. It has also become possible to examine the fundamental implications of some of the approximation correlations for the activity coefficient.
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تاریخ انتشار 1979