@article{10902/29683,
year = {2013},
month = {6},
url = {https://hdl.handle.net/10902/29683},
abstract = {The first four perturbation coefficients in the expansion of the Helmholtz free energy in power series of the inverse of the reduced temperature for a number of potential models with hard-sphere cores plus core-softened and discontinuous tails are obtained from Monte Carlo simulations. The potential models considered include square-well, double square-well, and square-shoulder plus square-well, with different potential parameters. These simulation data are used to evaluate the performance of a traditional macroscopic compressibility approximation (MCA) for the second order coefficient and a recent coupling parameter series expansion (CPSE) for the first four coefficients. Comprehensive comparison indicates the incapability of the MCA for the second order coefficient in most non-stringent situations, and significance of the CPSE in accurately calculating these four coefficients.},
organization = {J.R.S. acknowledges financial support from the Spanish Ministerio de Ciencia e Innovación (MICINN) under Grant
No. FIS2009-09616. This project is supported by the National Natural Science Foundation of China (NNSFC) (Grant No. 21173271).},
publisher = {American Institute of Physics},
publisher = {The Journal of Chemical Physics, Vol. 138, Iss. 24, Art. Num. 244115 (2013)},
title = {Monte Carlo and theoretical calculations of the first four perturbation coefficients in the high temperature series expansion of the free energy for discrete and core-softened potential models},
author = {Zhou, Shiqi and Solana Quirós, José Ramón},
}