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Russian Journal of Physical Chemistry B

, Volume 8, Issue 4, pp 554–558 | Cite as

Molecular dynamics simulation of reverse micelles: Standing problems after 25 years of research

  • A. V. NevidimovEmail author
Chemical Physics of Biological Processes

Abstract

The main problems of molecular dynamics simulation of reverse micelles are considered. The most important problem is that, in a simulation, a micelle can exist for an infinite time, while in a real chemical experiment, it exists for finite time or not formed at all. A criterion of rejection of such low-probable micelles for well-studied surface-active compounds has been proposed.

Keywords

reverse micelle surfactant computer simulation molecular dynamics simulation 

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Copyright information

© Pleiades Publishing, Ltd. 2014

Authors and Affiliations

  1. 1.Institute of Problems of Chemical PhysicsRussian Academy of SciencesChernogolovkaRussia

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