Strongly dipolar fluids: a theoretical and computational challenge

Citation
Mmt. Da Gama et Jm. Tavares, Strongly dipolar fluids: a theoretical and computational challenge, COMP PHYS C, 122, 1999, pp. 256-258
Citations number
12
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
122
Year of publication
1999
Pages
256 - 258
Database
ISI
SICI code
0010-4655(199909/10)122:<256:SDFATA>2.0.ZU;2-H
Abstract
We propose a simple statistical mechanical theory for a strongly dipolar fl uid at low densities, based on the analogy between a system of polydisperse polymer chains and the equilibrium structure of these fluids as shown by c omputer simulation. Both steric and dipolar interactions between long chain s are weak at low densities and as a result the dipolar fluid, in this regi me, is well described as an ideal gas of polydisperse chains. We further in vestigate how the residual dipolar interaction between monomers and attract ive Van der Waals interactions between particles may cause dissociation of the chains and condensation of the dipolar fluid. (C) 1999 Elsevier Science B.V. All rights reserved.