Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
101 (1994), S. 2355-2364
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A simple explicit expression for the Laplace transform of rg(r) for 3D square-well fluids is proposed. The model is constructed by imposing the following three basic physical requirements: (a) limr→σ+g(r)=finite, (b) limq→0S(q)=finite, and (c) limr→λσ−g(r)/limr→λσ+g(r)= exp(ε/kBT). When applied to 1D square-well fluids, the model yields the exact radial distribution function. Furthermore, in the sticky-hard-sphere limit [λ→1, ε→∞, (λ−1)exp(ε/kBT)=finite] the model reduces to Baxter's exact solution of the Percus–Yevick equation. Comparison with Monte Carlo simulation data shows that the model is a good extension of Baxter's solution to "thin'' square-well fluids. For "wide'' square-well fluids the model is still an acceptable approximation even for densities slightly above the critical density and temperatures slightly below the critical temperature.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.467676
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