Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
Note
Basic Cell Size Dependence of Displacement for a Solvation Motor in a Lennard-Jones Solvent
Ken TOKUNAGARyo AKIYAMA
Author information
JOURNALS FREE ACCESS FULL-TEXT HTML

2018 Volume 17 Issue 1 Pages 80-84

Details
Abstract

Solvation change induced by a chemical reaction can move a macromolecule in a specific direction. The hydrodynamic effect on a solvation motor was studied by using molecular dynamics simulations with a simple model. We examined the dependence of motor displacement induced by the chemical reaction on the size of the basic cell. The size dependence given by the simulation sat on a straight line as a function of the system size, and the displacement in an infinite system was estimated from the plot.

Fullsize Image
Information related to the author
© 2018 Society of Computer Chemistry, Japan
Previous article
feedback
Top