Vapor–Liquid Equilibria of Mixtures of Molecular Fluids Using the Activity Fraction Expanded Ensemble Simulation Method

The activity fraction expanded ensemble (AFEE) simulation technique has been extended to predict the vapor–liquid coexistence behavior of binary mixtures of molecular fluids. The systems of molecular mixtures studied are thiophene–n-hexane (a mixture of an aromatic compound with a n-alkane) and meth...

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Veröffentlicht in:	Industrial & engineering chemistry research 2018-09, Vol.57 (36), p.12235-12248
Hauptverfasser:	Chakraborti, Tamaghna, Adhikari, Jhumpa
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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