Structure of the square-shoulder fluid

Abstract

The structural properties of square-shoulder fluids are derived from the use of the rational function approximation method. The computation of both the radial distribution function and the static structure factor involves mostly analytical steps, requiring only the numerical solution of a single transcendental equation. The comparison with available simulation data and with numerical solutions of the Percus-Yevick and hypernetted-chain integral equations shows that the present approximation represents an improvement over the Percus-Yevick theory for this system and a reasonable compromise between accuracy and simplicity.

16 pages, 8 figures

References in corpus (9)

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Cited by in corpus (10)

• Structural and Thermodynamic Properties of Hard-Sphere Fluids
• Rational-function approximation for fluids interacting via piece-wise constant potentials
• Low-temperature crystal structures of the hard core square shoulder model
• Exact equilibrium properties of square-well and square-shoulder disks in single-file confinement
• Elastic deformations of loaded core-shell systems
• Theoretical approaches to the structural properties of the square-shoulder fluid
• Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics
• Predicting the structure of fluids with piecewise constant interactions: Comparing the accuracy of five efficient integral equation theories
• Discontinuous Structural Transitions in Fluids with Competing Interactions
• Temperature Expansions in the Square-Shoulder Fluid I: the Wiener-Hopf Function