Comparative study on interaction of N-PBS and cellulose derivatives by dynamic simulation

doi:10.1007/s00396-016-3833-7

	Comparative study on interaction of N-PBS and cellulose derivatives by dynamic simulation
	Xu, Xiao-Ling 1; Zhang, Min 1; Wang, Lei 1; Duan, Shan 1; Song, Ji-Qing 2,3
刊名	COLLOID AND POLYMER SCIENCE
	2016
卷号	294 期号:4 页码:755-765
关键词	N-PBS Cellulose derivatives Liquid composite Dynamics simulation Interaction
ISSN号	0303-402X
DOI	10.1007/s00396-016-3833-7
通讯作者	Xu, Xiao-Ling
英文摘要	Novel liquid bio-composites were successfully prepared by blending the N-methyl diethanolamine (N-MDEA) modified poly (butylene succinate) (N-PBS) and carboxy-methylated cellulose (CMC) or hydroxyl-ethyl cellulose (HEC) in solution. In order to reveal the interaction mechanism between N-PBS and cellulose derivatives, the mixing energy and interaction parameter of (N-PBS)-CMC and (N-PBS)-HEC were calculated using molecular dynamics simulation. In addition, the interaction mechanism of composites was explained using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). The molecular dynamics simulation results indicated that the hydrogen bonding, physical absorption, and electrostatic interaction produced between -OH, -OCO-, -COOH, and -N-CH2- functional groups. The (N-PBS)-HEC composite displayed more stable system than that of (N-PBS)-CMC composite. The results were explained using absorption peak of functional groups in FTIR and the binding energy distribution change of C1s, O1s, and N1s elements in XPS and smooth surface between N-PBS and HEC.
学科主题	Chemistry, Physical ; Polymer Science
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000372604600012
内容类型	期刊论文
源URL	[http://111.203.20.206/handle/2HMLN22E/19700]
专题	农业环境与可持续发展研究所
作者单位	1.Shaanxi Univ Sci & Technol, Key Lab Auxiliary Chem & Technol Chem Ind, Minist Educ, Xian 710021, Peoples R China 2.Chinese Acad Agr Sci, Inst Environm & Sustainable Dev Agr, Key Lab Agroenvironm & Climate Change, Minist Agr, Beijing 100081, Peoples R China 3.Minist Agr, Key Lab Dryland Farming & Water Saving Agr, Beijing 100081, Peoples R China
推荐引用方式 GB/T 7714	Xu, Xiao-Ling,Zhang, Min,Wang, Lei,et al. Comparative study on interaction of N-PBS and cellulose derivatives by dynamic simulation[J]. COLLOID AND POLYMER SCIENCE,2016,294(4):755-765.
APA	Xu, Xiao-Ling,Zhang, Min,Wang, Lei,Duan, Shan,&Song, Ji-Qing.(2016).Comparative study on interaction of N-PBS and cellulose derivatives by dynamic simulation.COLLOID AND POLYMER SCIENCE,294(4),755-765.
MLA	Xu, Xiao-Ling,et al."Comparative study on interaction of N-PBS and cellulose derivatives by dynamic simulation".COLLOID AND POLYMER SCIENCE 294.4(2016):755-765.