Scission Free Energies for Wormlike Surfactant Micelles : Development of a Simulation Protocol, Application, and Validation for Personal Care Formulations

We present a scheme to calculate wormlike micelle scission free energies from a potential of mean force (PMF) derived from a weighted histogram analysis method (WHAM) applied to coarse grained dissipative particle dynamics (DPD) simulations. In contrast to previous related work, we use a specially c...

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Publié dans:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 34(2018), 4 vom: 30. Jan., Seite 1564-1573
Auteur principal: Wang, Huan (Auteur)
Autres auteurs: Tang, Xueming, Eike, David M, Larson, Ronald G, Koenig, Peter H
Format: Article en ligne
Langue:English
Publié: 2018
Accès à la collection:Langmuir : the ACS journal of surfaces and colloids
Sujets:Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, Non-U.S. Gov't