Effect of Acetyl Group on Mechanical Properties of Chitin/Chitosan Nanocrystal: A Molecular Dynamics Study

Effect of Acetyl Group on Mechanical Properties of Chitin/Chitosan Nanocrystal: A Molecular Dynamics Study

Chitin fiber is the load-bearing component in natural chitin-based materials. In these materials, chitin is always partially deacetylated to different levels, leading to diverse material properties. In order to understand how the acetyl group enhances the fracture resistance capability of chitin fib...

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Bibliographic Details
Main Authors: Junhe Cui, Zechuan Yu, Denvid Lau
Format: Article
Language:English
Published: MDPI AG 2016-01-01
Series:International Journal of Molecular Sciences
Subjects:
chitin
chitosan
acetyl group
fracture energy
stiffness
steered molecular dynamics (SMD) simulation
Online Access:http://www.mdpi.com/1422-0067/17/1/61

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http://www.mdpi.com/1422-0067/17/1/61

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