Comparing four hard-sphere approximations for the low-temperature WCA melting line

Attia Eman; Dyre Jeppe C.; Pedersen Ulf R.

首页> 外文期刊>The Journal of Chemical Physics >Comparing four hard-sphere approximations for the low-temperature WCA melting line

【24h】

Comparing four hard-sphere approximations for the low-temperature WCA melting line

机译：Comparing four hard-sphere approximations for the low-temperature WCA melting line

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相关主题

摘要

By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation, we accurately determine the melting-line coexistence pressure and fluid/crystal densities of the Weeks-Chandler-Andersen system, covering four decades of temperature. The data are used for comparing the melting-line predictions of the Boltzmann, Andersen-Weeks-Chandler, Barker-Henderson, and Stillinger hard-sphere approximations. The Andersen-Weeks-Chandler and Barker-Henderson theories give the most accurate predictions, and they both work excellently in the zero-temperature limit for which analytical expressions are derived here. Published under an exclusive license by AIP Publishing.

著录项

来源
《The Journal of Chemical Physics》 |2022年第3期|共12页
作者
Attia Eman; Dyre Jeppe C.; Pedersen Ulf R.;
展开▼
作者单位

Roskilde Univ;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类物理化学（理论化学）、化学物理学;
关键词
EQUATION-OF-STATE; RADIAL-DISTRIBUTION FUNCTION; PERTURBATION-THEORY; THERMODYNAMIC PROPERTIES; STATISTICAL-MECHANICS; INTEGRAL-EQUATIONS; MOLECULAR-DYNAMICS; PHASE COEXISTENCE; CLASSICAL FLUIDS; SYSTEM;

Comparing four hard-sphere approximations for the low-temperature WCA melting line

摘要

著录项

相关主题

期刊订阅