Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
103 (1995), S. 10169-10175
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Although the second virial coefficient has been used frequently to test intermolecular potentials, the direct calculation of third virial coefficients has only been attempted for atomic or simple (with linear symmetry) multipolar fluids. In this paper a general approach is described for the numerical evaluation of the third virial coefficient for molecular systems. Specific results for the second and third virial coefficients for several different water models are reported and compared with experimental data; critical points are also estimated. A polarizable model is found to be superior to standard effective liquid-phase potentials in reproducing the equation of state for steam. © 1995 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.469919
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