Wood–Moisture Relationships Studied with Molecular Simulations: Methodological Guidelines

Wood–Moisture Relationships Studied with Molecular Simulations: Methodological Guidelines

This paper aims at providing a methodological framework for investigating wood polymers using atomistic modeling, namely, molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. Atomistic simulations are used to mimic water adsorption and desorption in amorphous polymers, make ob...

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Bibliographic Details
Main Authors: Mingyang Chen, Chi Zhang, Ali Shomali, Benoit Coasne, Jan Carmeliet, Dominique Derome
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Forests
Subjects:
wood
moisture
molecular dynamics
Monte Carlo simulations
S2 layer
upscaling
hygromechanical
Online Access:https://www.mdpi.com/1999-4907/10/8/628

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