Aqueous Phase Behavior of the PEO-Containing Non-Ionic Surfactant C12E6: A Molecular Dynamics Simulation Study

Published: 25 September 2020| Version 1 | DOI: 10.17632/5fbtdgyprr.1
Contributors:
David Chalmers,
Amali Guruge,
Colin Pouton,
Dallas Warren

Description

Final frames (in pdb format) of simulations of simulations of the C12EO6 surfactant in water. Simulations were performed using the f2016H66 and 53A6DBW force fields using the Gromacs molecular dynamics software.

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Final

Institutions

Monash University

Categories

Molecular Structure, Surfactant, Molecular Simulation, Phase Behavior

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