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
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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Molecular Structure, Surfactant, Molecular Simulation, Phase Behavior