Bottom-Up Approach to the Coarse-Grained Surface Model : Effective Solid-Fluid Potentials for Adsorption on Heterogeneous Surfaces

Coarse-grained surface models with a low-dimension positional dependence have great advantages in simplifying the theoretical adsorption model and speeding up molecular simulations. In this work, we present a bottom-up strategy, developing a new two-dimensional (2D) coarse-grained surface model from...

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Publié dans:	Langmuir : the ACS journal of surfaces and colloids. - 1985. - 35(2019), 17 vom: 30. Apr., Seite 5975-5986
Auteur principal:	Shi, Kaihang (Auteur)
Autres auteurs:	Santiso, Erik E, Gubbins, Keith E
Format:	Article en ligne
Langue:	English
Publié:	2019
Accès à la collection:	Langmuir : the ACS journal of surfaces and colloids
Sujets:	Journal Article