Comparing the Use of Gibbs Ensemble and Grand-Canonical Transition-Matrix Monte Carlo Methods to Determine Phase Equilibria-Reference-Cited by-同舟云学术

Comparing the Use of Gibbs Ensemble and Grand-Canonical Transition-Matrix Monte Carlo Methods to Determine Phase Equilibria

Published:2008-05-30 Issue:13 Volume:47 Page:4533-4541
ISSN:0888-5885
Container-title:Industrial & Engineering Chemistry Research
language:en
Short-container-title:Ind. Eng. Chem. Res.

Author:

Paluch Andrew S.¹,Shen Vincent K.¹,Errington Jeffrey R.¹

Affiliation:

1. Department of Chemical and Biological Engineering, The State University of New York at Buffalo, Buffalo, New York 14260-4200, and Physical and Chemical Properties Division, National Institute of Standards and Technology, 100 Bureau Drive MS 8380, Gaithersburg, Maryland 20899-8380

Publisher

American Chemical Society (ACS)

Subject

Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ie800143n

Reference65 articles.

1. Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

2. Phase equilibria by simulation in the Gibbs ensemble

3. Exact calculations of fluid-phase equilibria by Monte Carlo simulation in a new statistical ensemble

4. A method for the direct calculation of chemical potentials for dense chain systems

5. Configurational bias Monte Carlo: a new sampling scheme for flexible chains

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