WERTHEIM CLUSTER DEVELOPMENT OF FREE-ENERGY FUNCTIONALS FOR GENERAL NEAREST-NEIGHBOR INTERACTIONS IN D=1

Citation
Gr. Brannock et Jk. Percus, WERTHEIM CLUSTER DEVELOPMENT OF FREE-ENERGY FUNCTIONALS FOR GENERAL NEAREST-NEIGHBOR INTERACTIONS IN D=1, The Journal of chemical physics, 105(2), 1996, pp. 614-627
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
2
Year of publication
1996
Pages
614 - 627
Database
ISI
SICI code
0021-9606(1996)105:2<614:WCDOFF>2.0.ZU;2-W
Abstract
We develop a particle cluster technique for representing the equilibri um thermodynamics of an inhomogeneous multispecies classical fluid in one dimension with nearest-neighbor interactions. The corresponding fr ee energy functionals take on the general Wertheim association form an d make contact with the Widom insertion argument. Application is made to adhesive rod mixtures, for which first-order thermodynamic perturba tion theory is seen to be exact, and to more general interactions, suc h as the square well, in which activity is no longer a local functiona l of the density and explicit relations must be generated by recursion . For a fluid on a loop, auxiliary two-point feedback functions appear , which correct the simply connected form. (C) 1996 American Institute of Physics.