Thermodynamic consistency and other challenges in coarse-graining models
Thermodynamic consistency and other challenges in coarse-graining models
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DOI：
10.1140/epjst/e2015-02407-x
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发表时间：
2015-06
期刊：
影响因子：
--
通讯作者：
M. Guenza
中科院分区：
文献类型：
--
作者：
M. Guenza
本文从积分方程粗粒法（IECG）开始，对复杂分子液体的粗粒模型进行了批判性讨论。对于大分子液体，该方法允许粗粒形式的解析解，包括有效对势，并以这种方式提供一个方便的框架来研究有关粗粒的一般问题。
This paper presents a critical discussion of coarse-graining models of complex molecular liquids, starting from the Integral Equation Coarse-Graining method (IECG). For liquids of macro- molecules this method allows for the analytical solution of the coarse-graining formalism, including the effective pair potential, and providing in this way a convenient framework to study general issues concerning coarse-graining.