Clustering and percolation for dimerizing penetrable spheres
Journal Article
·
· Journal of Chemical Physics; (United States)
- Department of Chemical Engineering, University of Pennsylvania, Philadelphia, Pennsylvania (USA)
Wertheim's dual density formalism is applied to study the percolation behavior of dimerizing permeable spheres. The model is that of permeable spheres introduced by Blum and Stell as a generalized potential having ideal-gas (randomly centered) spheres as one limit and Percus--Yevick hard spheres as the other. Both thermodynamic results (pressure and site--site pair-correlation functions) and connectivity results (percolation threshold and site--site pair-connectedness functions) are determined for mixtures of dumbbells and spheres as a function of the penetrability factor {epsilon}, the bond length {ital L} and the fraction {ital x}{sub 1} of spheres forming dumbbells. A critical bond length {ital L}=0.553 was found for which the percolation threshold is independent of the amount of dimerization.
- OSTI ID:
- 5152234
- Journal Information:
- Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 95:11; ISSN JCPSA; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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