Issue 41, 2017

Dynamics theory for molecular liquids based on an interaction site model

Abstract

Dynamics theories for molecular liquids based on an interaction site model have been developed over the past few decades and proved to be powerful tools to investigate various dynamical phenomena. In many of these theories, equations of time correlation functions are formulated by using the Zwanzig–Mori projection operator. Since algebriac equations are directly treated in these statistical mechanical approaches, the obtained dynamical properties are essentially free from statistical error. This perspective presents the theoretical framework of such theories and their applications, including visualization of diffusion processes, collective excitations, solvation dynamics, transport properties, and diffusion controlled reactions.

Graphical abstract: Dynamics theory for molecular liquids based on an interaction site model

Article information

Article type
Perspective
Submitted
09 Aug. 2017
Accepted
29 Sept. 2017
First published
11 Okt. 2017

Phys. Chem. Chem. Phys., 2017,19, 27917-27929

Dynamics theory for molecular liquids based on an interaction site model

K. Kasahara and H. Sato, Phys. Chem. Chem. Phys., 2017, 19, 27917 DOI: 10.1039/C7CP05423H

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