Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
111 (1999), S. 3192-3202
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Excess properties of binary mixtures of n-alkanes have been evaluated from perturbation theory. A good equation of state for the reference system mixture is combined with a simple approximation to the perturbation term and with a reasonable set of potential parameters to yield a qualitatively correct description of the trends of excess volumes and excess Gibbs energies of n-alkane mixtures without the need for any adjustable parameter. Moreover, the theory can be made quantitative by introducing two adjustable parameters for each temperature. These two parameters have a clear molecular origin and they could be removed if some of the approximations of the theory proposed here were replaced by a more rigorous evaluation. In this sense this paper is just a first step toward a fully molecular theory of excess properties of alkanes. Excess properties estimated from perturbation theory by using these two adjustable parameters are in excellent agreement with experiment and are clearly superior to those obtained from the classic FOV theory proposed by Flory, Orwoll and Vrij [J. Am. Chem. Soc. 86, 3507, 3515 (1964)]. It is our view that the theory of this work is also conceptually superior to the FOV theory, since it rests on a more rigorous molecular basis. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.479599
| Library |
Location |
Call Number |
Volume/Issue/Year |
Availability |
