Implementation of the Hierarchical Reference Theory for simple one-component fluids

Abstract

Combining renormalization group theoretical ideas with the integral equation approach to fluid structure and thermodynamics, the Hierarchical Reference Theory is known to be successful even in the vicinity of the critical point and for sub-critical temperatures. We here present a software package independent of earlier programs for the application of this theory to simple fluids composed of particles interacting via spherically symmetrical pair potentials, restricting ourselves to hard sphere reference systems. Using the hard-core Yukawa potential with z=1.8/sigma for illustration, we discuss our implementation and the results it yields, paying special attention to the core condition and emphasizing the decoupling assumption's role.

RevTeX, 16 pages, 2 figures. Minor changes, published version

Cited by in corpus (10)

• Recent developments of the Hierarchical Reference Theory of Fluids and its relation to the Renormalization Group
• Phase behaviour of a symmetrical binary fluid mixture
• Thermodynamically self-consistent liquid state theories for systems with bounded potentials
• The Hierarchical Reference Theory as applied to square well fluids of variable range
• Towards a unification of HRT and SCOZA
• Link between New Versions of the Hierarchical Reference Theory of Liquids and of the Non Perturbative Renormalization Group in Statistical Field Theory
• Infinite compressibility states in the Hierarchical Reference Theory of fluids. II. Numerical evidence
• Infinite compressibility states in the Hierarchical Reference Theory of fluids. I. Analytical considerations
• Liquid-vapor transition of systems with mean field universality class
• Vapor-liquid equilibrium (VLE) properties versus critical exponent theory - on new approximate mathematical approach to determine the critical exponent value of the vapor-liquid coexistence curve