Article : texte imprimé

First-principles predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations

Chieh-Ming Hsieh, Auteur ; Shiang-Tai Lin, Auteur |

Dans Industrial & engineering chemistry research (Vol. 48 N° 6, Mars 2009)

A novel approach combining first-principles solvation calculations and cubic equations of state is proposed for the prediction of phase equilibria of both pure and mixture fluids. The temperature and composition dependence of the energy paramete[...]

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