Surrogate Models for Studying the Wettability of Nanoscale Natural Rough Surfaces Using Molecular Dynamics

Surrogate Models for Studying the Wettability of Nanoscale Natural Rough Surfaces Using Molecular Dynamics

A molecular modeling methodology is presented to analyze the wetting behavior of natural surfaces exhibiting roughness at the nanoscale. Using atomic force microscopy, the surface topology of a Ketton carbonate is measured with a nanometer resolution, and a mapped model is constructed with the aid o...

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Bibliographic Details
Main Authors: Lingru Zheng, Maja Rücker, Tom Bultreys, Apostolos Georgiadis, Miranda M. Mooijer-van den Heuvel, Fernando Bresme, J. P. Martin Trusler, Erich A. Müller
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Energies
Subjects:
wettability
natural roughness
molecular dynamics
contact angle
coarse grain
Online Access:https://www.mdpi.com/1996-1073/13/11/2770

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https://www.mdpi.com/1996-1073/13/11/2770

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