Determination of phase equilibria for long-chain linear hydrocarbons by Monte Carlo simulation.
The focus of this study was to determine the coexistence phase equilibria for three groups of long-chain linear hydrocarbons (n-alkanes, 1-alkenes and 1-alcohols) using Monte Carlo simulation. Three common transferable united-atom force fields were used in the simulations: OPLS-UA (Jorgensen et al.,...
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| Language: | en |
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2011
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| Online Access: | http://hdl.handle.net/10413/2846 |