极性和离子相互作用位点流体研究中的积分方程。
Integral equations in the study of polar and ionic interaction site fluids.
作者信息
Howard Jesse J, Pettitt B Montgomery
机构信息
Department of Chemistry, University of Houston, Houston, Texas 77204-5003.
出版信息
J Stat Phys. 2011 Oct 1;145(2):441-466. doi: 10.1007/s10955-011-0260-5.
Abstract
In this review article we consider some of the current integral equation approaches and application to model polar liquid mixtures. We consider the use of multidimensional integral equations and in particular progress on the theory and applications of three dimensional integral equations. The IEs we consider may be derived from equilibrium statistical mechanical expressions incorporating a classical Hamiltonian description of the system. We give example including salt solutions, inhomogeneous solutions and systems including proteins and nucleic acids.
摘要
在这篇综述文章中，我们探讨了一些当前用于模拟极性液体混合物的积分方程方法及其应用。我们考虑了多维积分方程的使用，特别是三维积分方程在理论和应用方面的进展。我们所考虑的积分方程可能源自包含系统经典哈密顿描述的平衡统计力学表达式。我们给出了一些例子，包括盐溶液、非均匀溶液以及包含蛋白质和核酸的系统。
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