Mechanical property of hydrous amorphous cellulose studied by molecular dynamics

详细信息    查看全文

• 作者：M. Z. Zhu ; Y. F. Chen ; W. B. Zhu ; X. M. Du…
• 刊名：Russian Journal of Physical Chemistry B, Focus on Physics
• 出版年：2016
• 出版时间：May 2016
• 年：2016
• 卷：10
• 期：3
• 页码：524-530
• 全文大小：735 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Physical Chemistry
  Russian Library of Science
  
• 出版者：MAIK Nauka/Interperiodica distributed exclusively by Springer Science+Business Media LLC.
• ISSN：1990-7923
• 卷排序：10

文摘

The mechanical property of cellulose is universally considered as an important parameter, which reflects the service life of cellulosic insulation paper in the transformer. In this work, the mechanical property of hydrous amorphous cellulose has been studied using molecular dynamics. Analysis of the mechanical parameters of amorphous cellulose cells reveals that amorphous cellulose remains isotropic either in the hydrous or in the anhydrous state, but shows a weakening trend in mechanical property with the increase of water content. Both intramolecular and intermolecular hydrogen bonds in cellulose molecules decrease with increasing water content, directly leading to the decline of cellulose cohesive energy density, solubility parameters, and mechanical parameters. High water content in amorphous cellulose gives bigger interchain distance of cellulose molecules, indicating that the intermolecular interaction of cellulose molecules is weakened greatly by water.Keywordsmechanical propertycellulosemolecular dynamics