Index of content:
Volume 111, Issue 1, 01 July 1999
111(1999); http://dx.doi.org/10.1063/1.479283View Description Hide Description
Potential parameters for n-alkanes can be obtained either from second virial coefficient calculations or from simulations of the vapor–liquid equilibria. In this note, it is shown that although each method yields different parameters, differences are moderate. These differences are smaller when the second virial coefficient is fitted at high temperatures.