Literature DB >> 17614567

Phase behavior of attractive and repulsive ramp fluids: integral equation and computer simulation studies.

E Lomba1, N G Almarza, C Martín, C McBride.   

Abstract

Using computer simulations and a thermodynamically self-consistent integral equation we investigate the phase behavior and thermodynamic anomalies of a fluid composed of spherical particles interacting via a two-scale ramp potential (a hard core plus a repulsive and an attractive ramp) and the corresponding purely repulsive model. Both simulation and integral equation results predict a liquid-liquid demixing when attractive forces are present, in addition to a gas-liquid transition. Furthermore, a fluid-solid transition emerges in the neighborhood of the liquid-liquid transition region, leading to a phase diagram with a somewhat complicated topology. This solidification at moderate densities is also present in the repulsive ramp fluid, but in this case inhibits the fluid-fluid separation.

Year:  2007        PMID: 17614567     DOI: 10.1063/1.2748043

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Properties of a soft-core model of methanol: an integral equation theory and computer simulation study.

Authors:  Matej Huš; Gianmarco Munaò; Tomaz Urbic
Journal:  J Chem Phys       Date:  2014-10-28       Impact factor: 3.488

2.  Effect of hydrophobic environments on the hypothesized liquid-liquid critical point of water.

Authors:  Elena G Strekalova; Dario Corradini; Marco G Mazza; Sergey V Buldyrev; Paola Gallo; Giancarlo Franzese; H Eugene Stanley
Journal:  J Biol Phys       Date:  2011-11-11       Impact factor: 1.365

3.  Liquid-liquid phase transition and glass transition in a monoatomic model system.

Authors:  Limei Xu; Sergey V Buldyrev; Nicolas Giovambattista; H Eugene Stanley
Journal:  Int J Mol Sci       Date:  2010-12-16       Impact factor: 5.923

4.  Thermodynamic mechanism of the density and compressibility anomalies of water in the range - 30 < T (°C) < 100.

Authors:  Makoto Yasutomi
Journal:  Sci Rep       Date:  2022-01-24       Impact factor: 4.379

  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.