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Wetting of pristine and functionalized nanocrystalline cellulose

Molecular dynamic simulations were used to investigate the wetting behavior of nanocrystalline cellulose allomorphs. Three 40ns independent MD simulations using CHARMM force field gave droplet profiles, whose contact angles were obtained with LBADSA plugin for ImageJ. Surface hydrophilicity was rela...

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Bibliographic Details
Main Authors:	Trentin, Lucas Nascimento, Skaf, Munir Salomao
Format:	Online
Language:	English
Published:	Universidade Estadual de Campinas 2019
Subjects:	Cellulose Molecular dynamics Hydrophilicity.
Online Access:	https://econtents.sbu.unicamp.br/eventos/index.php/pibic/article/view/897
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