2007/01/03 by J. M. Brader, R. L. C. Vink
Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Material Dynamics and Properties #Theoretical and Computational Physics #cond-mat.soft
paper · pdf · doi:10.1088/0953-8984/19/3/036101
published as J.Phys.Cond.Mat. 19 036101 (2007)
openalex publication_date 2007/01/03 · arxiv created 2008/08/01 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
The Widom–Rowlinson model plays an important role in the statistical mechanics of second-order phase transitions, and yet there currently exists no theoretical approach capable of accurately predicting both the microscopic structure and phase equilibria. We address this issue using computer simulation, density functional theory and integral equation theory. A detailed study of the pair correlation functions obtained from computer simulation motivates a closure of the Ornstein–Zernike equations which gives a good description of the pair structure, and locates the critical point to an accuracy of 2%.