The effect of the degree of substitution on the solubility of cellulose acetoacetates in water: A molecular dynamics simulation and density functional theory study.

导出 LinkOut

翻译打印收藏纠错

第一作者： Wei,Wu

第一单位： Key Lab of Science and Technology of Eco-textile, Ministry of Education, National Engineering Research Center for Dyeing and Finishing of Textiles, College of Chemistry, Chemical Engineering and Biotechnology, Innovation Centre for Textile Science and Technology, Donghua University, Shanghai, 201620, China.

作者： Wei,Wu ^[1] ; Yang,Yang ^[1] ; Bijia,Wang ^[1] ; Liduo,Rong ^[1] ; Hong,Xu ^[2] ; Xiaofeng,Sui ^[1] ; Yi,Zhong ^[1] ; Linping,Zhang ^[1] ; Zhize,Chen ^[1] ; Xueling,Feng ^[1] ; Zhiping,Mao ^[3]

作者单位： Key Lab of Science and Technology of Eco-textile, Ministry of Education, National Engineering Research Center for Dyeing and Finishing of Textiles, College of Chemistry, Chemical Engineering and Biotechnology, Innovation Centre for Textile Science and Technology, Donghua University, Shanghai, 201620, China. ^[1] Key Lab of Science and Technology of Eco-textile, Ministry of Education, National Engineering Research Center for Dyeing and Finishing of Textiles, College of Chemistry, Chemical Engineering and Biotechnology, Innovation Centre for Textile Science and Technology, Donghua University, Shanghai, 201620, China. Electronic address: hxu@dhu.edu.cn. ^[2] Key Lab of Science and Technology of Eco-textile, Ministry of Education, National Engineering Research Center for Dyeing and Finishing of Textiles, College of Chemistry, Chemical Engineering and Biotechnology, Innovation Centre for Textile Science and Technology, Donghua University, Shanghai, 201620, China. Electronic address: zhpmao@dhu.edu.cn. ^[3]

关键词 Cellulose acetoacetate Density functional theory Molecular dynamics simulation Solubility The degree of substitution

主题词碳水化合物构象(Carbohydrate Conformation);纤维素(Cellulose);氢键合(Hydrogen Bonding);分子动力学模拟(Molecular Dynamics Simulation);溶解度(Solubility);热力学(Thermodynamics);水(Water)

DOI 10.1016/j.carres.2020.108134

PMID 32858483

发布时间 2021-06-21

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交