Thermodynamically self-consistent liquid state theories for systems with bounded potentials

Details Thermodynamically self-consistent liquid state theories for systems with bounded potentials Thermodynamically self-consistent liquid state theories for systems with bounded potentials

2005-09-29

arxiv.org/abs/cond-mat/0509759v1

Condens. Matt. Phys. 8, 135 (2005)

Physics

Condensed Matter

Soft Condensed Matter

11 pages, 11 figures, submitted to J. Chem. Phys

Scientific paper

10.1063/1.2167646

The mean spherical approximation (MSA) can be solved semi-analytically for the Gaussian core model (GCM) and yields - rather surprisingly - exactly the same expressions for the energy and the virial equations. Taking advantage of this semi-analytical framework, we apply the concept of the self-consistent Ornstein-Zernike approximation (SCOZA) to the GCM: a state-dependent function K is introduced in the MSA closure relation which is determined to enforce thermodynamic consistency between the compressibility route and either the virial or energy route. Utilizing standard thermodynamic relations this leads to two different differential equations for the function K that have to be solved numerically. Generalizing our concept we propose an integro-differential-equation based formulation of the SCOZA which, although requiring a fully numerical solution, has the advantage that it is no longer restricted to the availability of an analytic solution for a particular system. Rather it can be used for an arbitrary potential and even in combination with other closure relations, such as a modification of the hypernetted chain approximation.

Affiliated with

Also associated with

No associations

Rating

Thermodynamically self-consistent liquid state theories for systems with bounded potentials does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Thermodynamically self-consistent liquid state theories for systems with bounded potentials, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Thermodynamically self-consistent liquid state theories for systems with bounded potentials will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-460616