纳米晶
纤维素
堆积
电荷(物理)
材料科学
分子动力学
化学物理
化学工程
挤压
结晶学
纳米技术
化学
复合材料
有机化学
计算化学
物理
量子力学
工程类
作者
Bin Wang,Jinyang Xu,Chengliang Duan,Jinpeng Li,Jinsong Zeng,Jun Xu,Wenhua Gao,Kefu Chen
出处
期刊:Molecules
[MDPI AG]
日期:2023-02-15
卷期号:28 (4): 1857-1857
被引量:1
标识
DOI:10.3390/molecules28041857
摘要
The charge plays an important role in cellulose nanocrystal (CNC) self-assembly to form liquid crystal structures, which has rarely been systematically explored. In this work, a novel technique combining atomic force microscopy force and atomistic molecular dynamics simulations was addressed for the first time to systematically investigate the differences in the CNC self-assembly caused by external positive and negative charges at the microscopic level, wherein sodium polyacrylate (PAAS) and chitosan oligosaccharides (COS) were used as external positive and negative charge additives, respectively. The results show that although the two additives both make the color of CNC films shift blue and eventually disappear, their regulatory mechanisms are, respectively, related to the extrusion of CNC particles by PAAS and the reduction in CNC surface charge by COS. The two effects both decreased the spacing between CNC particles and further increased the cross angle of CNC stacking arrangement, which finally led to the color variations. Moreover, the disappearance of color was proved to be due to the kinetic arrest of CNC suspensions before forming chiral nematic structure with the addition of PAAS and COS. This work provides an updated theoretical basis for the detailed disclosure of the CNC self-assembly mechanism.
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