Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations
Peroukidis, Stavros D., Tsalikis, Dimitrios G., Noro, Massimo G., Stott, Ian P., Mavrantzas, Vlasis G.Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00229
Date:
April, 2020
File:
PDF, 801 KB
2020