Organic Solvent & Water Simulation

From: Oscar Bastidas (
Date: Tue Jun 20 2017 - 15:15:05 CDT

Hello everyone,

Would somebody please tell me if it is possible to simulate an emulsion
system of water and an organic solvent (hexane perhaps?)

Also would you tell me if NAMD can simulate phase transitions such as the
hexane flashing off/evaporating off of the aforementioned water/hexane
emulsion? Thank you.


Oscar Bastidas, Graduate Student
Department of Chemical and Life Science Engineering
Virginia Commonwealth University

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