Vapour–liquid equilibria of the OPLS (Optimized Potentials for Liquid Simulations) model for binary systems of alkanes and alkanes + alcohols

Vapour–liquid equilibria of the OPLS (Optimized Potentials for Liquid Simulations) model for binary systems of alkanes and alkanes + alcohols

The NpT - Gibbs ensemble Monte Carlo computer simulationmethod was applied to predict the vapour–liquid equlibrium (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 425.15...

Full description

Bibliographic Details
Main Authors: SLOBODAN P. SERBANOVIC, MILAN LJ. MIJAJLOVIC, IVONA R. RADOVIC, BOJAN D. DJORDJEVIC, MIRJANA LJ. KIJEVCANIN, EMILA M. DJORDJEVIC, ALEKSANDAR Z. TASIC
Format: Article
Language:English
Published: Serbian Chemical Society 2005-03-01
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.shd.org.yu/HtDocs/SHD/vol70/No3/JSCS_V70_No3-14.pdf

Internet

http://www.shd.org.yu/HtDocs/SHD/vol70/No3/JSCS_V70_No3-14.pdf

Similar Items