Phase Equilibria and Critical Point Predictions of Mixtures of Molecular Fluids Using Grand Canonical Transition Matrix Monte Carlo

Mixtures of molecular fluids are encountered often in chemical industry, and the vapor–liquid coexistence curves are required for efficient design of separation processes. Hence, a computational scheme employing the Wang–Landau and grand canonical transition matrix Monte Carlo molecular simulation t...

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Veröffentlicht in:	Industrial & engineering chemistry research 2017-06, Vol.56 (22), p.6520-6534
Hauptverfasser:	Chakraborti, Tamaghna, Adhikari, Jhumpa
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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