Published May 4, 2023
| Version v1
Dataset
Open
Interface Adsorption versus Bulk Micellization of Surfactants: Insights from Molecular Simulations
- 1. Jožef Stefan Institute
- 2. Institute of Physical Chemistry, University of Stuttgart
- 3. Department of Physics, Technische Universität Darmstadt
Description
Essential files for Gromacs used in the study "Interface Adsorption versus Bulk Micellization of Surfactants: Insights from Molecular Simulations," JCTC to simulate C12EO6 surfactants in bulk water (as micelles) and at a decane/water interface (monolayer).
Files
Surfactants.zip
Files
(5.7 MB)
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md5:dbb5357db3513e9617f3a9c689df4e92
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