Suppr超能文献

韦特海姆关联理论在一处斑片状胶体中的应用:超越单一键合条件。

Wertheim's association theory applied to one site patchy colloids: beyond the single bonding condition.

机构信息

Department of Chemical and Biomolecular Engineering, Rice University, 6100 S. Main Houston, Texas 77005, USA.

出版信息

J Chem Phys. 2012 Sep 14;137(10):104909. doi: 10.1063/1.4751480.

Abstract

We apply Wertheim's theory to develop an equation of state for one site patchy colloids where the patch can bond multiple times. We allow for the possibility of ring formation without the introduction of empirical parameters and show that for moderate patch coverage the infinite series of chain graphs is well represented by the first two terms. The theory is found to be in excellent agreement with new NVT and NPT Monte Carlo simulations. The approach described here can easily be converted to the form of a density functional theory to describe inhomogeneous patchy colloid systems.

摘要

我们应用 Wertheim 的理论来为一个有多个键合位置的单补丁胶体开发状态方程。我们允许在不引入经验参数的情况下形成环,并表明对于中等的补丁覆盖度,链图的无穷级数可以很好地用前两项来表示。理论与新的 NVT 和 NPT 蒙特卡罗模拟结果非常吻合。这里描述的方法可以很容易地转换为密度泛函理论的形式,以描述不均匀的有补丁的胶体系统。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验