The vapour - liquid equilibrium of n-alkanes
C Vega; B Garzon; L G MacDowell; P Padilla; S Calero; S Lago
Журнал:
Journal of Physics: Condensed Matter
Дата:
1996-11-18
Аннотация:
The vapour - liquid equilibrium of short n-alkanes is considered by using perturbation theory. This requires as a previous step obtaining an equation of state (EOS) for hard flexible models. An EOS for hard-n-alkane models which shows excellent agreement with computer simulation of hard-n-alkane models with up to 100 carbon atoms is proposed. This EOS is combined with a mean-field term and the vapour - liquid equilibrium of n-alkanes is computed. When theoretical critical densities and pressures are plotted as a function of the number of carbon atoms, a maximum is found. This is in agreement with experiment. The conditions for the appearance of such a maximum in general chain models are established. Some ways of improving the mean-field theory are suggested.
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