干旱区生态环境知识资源中心(Arid): Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent

Arid

DOI	10.3390/polym14163365
	Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent
	Huang, Wei; Geng, Xueyu; Li, Jing; Zhou, Cuiying; Liu, Zhen
通讯作者	Zhou, CY ; Liu, Z
来源期刊	POLYMERS
EISSN	2073-4360
出版年	2022
卷号	14 期号:16
英文摘要	Chemical sand-fixing technology has shown good potential in preventing desertification, but the effect is determined by materials. In this paper, the adsorption behavior of quartz and six common polymer sand-fixing agents under dry conditions was studied by molecular dynamics method. The results show that all polymers could be adsorbed on the surface of quartz and their functional groups play an important role in the adsorption process. Compared with other materials, the binding energy and the number of hydrogen bonds of PAA-quartz composites were improved by 30.7-65.6% and 8.3-333.3%, respectively. It was found that the number of hydrogen bonds formed under the unit molecular was positively correlated with the mechanical properties of the improved sandy soil. This study provides an accurate, efficient and inexpensive qualitative evaluation method for the curing effect of sand fixers, which will assist in the screening and development of new high performance sand fixers.
英文关键词	molecular dynamics polymeric sand-fixing agent adsorption mechanism sandy soil improvement microscopic mechanism
类型	Article
语种	英语
开放获取类型	gold, Green Published
收录类别	SCI-E
WOS记录号	WOS:000845585200001
WOS关键词	QUARTZ SURFACE ; STABILIZATION ; CONFORMATION ; SIMULATIONS ; ACID) ; OXIDE
WOS类目	Polymer Science
WOS研究方向	Polymer Science
资源类型	期刊论文
条目标识符	http://119.78.100.177/qdio/handle/2XILL650/394068
推荐引用方式 GB/T 7714	Huang, Wei,Geng, Xueyu,Li, Jing,et al. Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent[J],2022,14(16).
APA	Huang, Wei,Geng, Xueyu,Li, Jing,Zhou, Cuiying,&Liu, Zhen.(2022).Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent.POLYMERS,14(16).
MLA	Huang, Wei,et al."Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent".POLYMERS 14.16(2022).