Vapour-liquid equilibrium of the OPLS, optimized potentials for liquid simulations, model for binary systems of alkanes and alkanes + alcohols

Vapour-liquid equilibrium of the OPLS, optimized potentials for liquid simulations, model for binary systems of alkanes and alkanes + alcohols

The NpT - Gibbs ensemble Monte Carlo computer simulation method was applied to predict the vapour-liquid equilibrium (VLE) behavior of the binary systems ethane + pentane at 277.55 K and 310.95 K, ethane + hexane at 298.15 K, propane + methanol at 313.15 K and propane + ethanol at 325.15 K and 425.1...

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Bibliographic Details
Main Authors: Šerbanović Slobodan P., Mijajlović Milan LJ., Radović Ivona R., Đorđević Bojan D., Kijevčanin Mirjana LJ., Đorđević Emila M., Tasić Aleksandar Ž.
Format: Article
Language:English
Published: Serbian Chemical Society 2005-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
gibbs ensemble
monte carlo
molecular simulation
opls model
vapour-liquid equilibria
alkanes
alcohols
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2005/0352-51390503527S.pdf

Internet

http://www.doiserbia.nb.rs/img/doi/0352-5139/2005/0352-51390503527S.pdf

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