Density pair correlation functions for molecular liquids: Approximations for polymers

Citation
Jp. Donley et al., Density pair correlation functions for molecular liquids: Approximations for polymers, J CHEM PHYS, 109(23), 1998, pp. 10499-10512
Citations number
44
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
109
Issue
23
Year of publication
1998
Pages
10499 - 10512
Database
ISI
SICI code
0021-9606(199812)109:23<10499:DPCFFM>2.0.ZU;2-F
Abstract
We present a simple, physically motivated equation for the radial distribut ion function g(r) for molecular liquids, valid for polymers interacting via soft potentials. It is constructed to perform properly at low density for polyelectrolyte solutions. However, it also accounts for intermolecular cor relations at both the molecular and monomer level, above those contained in the random phase approximation. We show that this theory reduces in variou s limits to some well-known polymer theories for g(r). In a preliminary ana lysis, we apply the equation for soft potentials to two very different syst ems: a solution of rod polyelectrolytes and a solution of flexible van der Waals chains. (C) 1998 American Institute of Physics. [S0021-9606(98)50147- X].