期刊
PHYSICAL REVIEW E
卷 87, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.87.052307
关键词
-
资金
- Robert A. Welch Foundation [C-1241]
We develop a comprehensive approach to model associating fluids with small bond angles using Wertheim's perturbation theory. We show theoretically and through Monte Carlo simulations that as bond angle is varied various modes of association become dominant. The theory is shown to be in excellent agreement with Monte Carlo simulation for the prediction of the internal energy, pressure, and fractions in rings and chains, double bonded over the full range of bond angles.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据