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arXiv 1401.6780cond-mat.soft
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空间稳定色散的平均力势

On the potential of mean force of a sterically stabilized dispersion

R. Catarino Centeno, E. Perez, A. Gama Goicochea

摘要:

在当前感兴趣的各种情况下,如不同的溶剂质量,聚合物涂层厚度,并添加静电相互作用的胶体分散体的平均力(PMF)的潜力是从径向分布函数可从文献中获得。他们是基于一个隐含的溶剂,分子动力学模拟研究模型二氧化钛分散体,考虑到三个主要组成部分的胶体颗粒之间的相互作用,即范德华吸引力,聚合物涂层之间的排斥,和一个硬核颗粒排斥。此外,还包括静电相互作用的屏蔽形式。有人认为,最佳条件下的分散稳定性可以来自不同的情况下研究的保偏光纤的比较分析。这种基于热力学的分析被认为比基于更抽象的径向分布函数的分析更容易被致力于开发改进的二氧化钛配方的专家所接受。

英文摘要:

The potential of mean force (PMF) of a colloidal dispersion under various circumstances of current interest, such as varying solvent quality, polymer coating thickness, and addition of electrostatic interaction is obtained from radial distribution functions available from the literature. They are based on an implicit solvent, molecular dynamics simulation study of a model titania dispersion that takes into account three major components to the interaction between colloidal particles, namely van der Waals attraction, repulsion between polymer coating layers, and a hard core particle repulsion. Additionally, a screened form of the electrostatic interaction was included also. It is argued that optimal conditions for dispersion stability can be derived from a comparative analysis of the PMF under the different situations under study. This thermodynamics based analysis is believed to be more accessible to specialists working on the development of improved titania formulations than that based on the more abstract, radial distribution functions.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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