Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study

doi:10.1021/acsami.8b22059

	Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study
	Liu, Zi-Yu 1; Jiang, Qin 1; Jin, Zhiqiang 1; Sun, Zhenyu 3; Ma, Wangjing 1; Wang, Yanlei 2
刊名	ACS APPLIED MATERIALS & INTERFACES
	2019-04-17
卷号	11 期号:15 页码:14408-14417
关键词	zwitterionic membrane antifouling mechanism alginates molecular dynamics simulation electrolyte electrostatic repulsion
ISSN号	1944-8244
DOI	10.1021/acsami.8b22059
英文摘要	The antifouling process of the membrane is very vital for the highly efficient treatment of industrial wastewater, especially high salinity wastewater containing oil and other pollutants. In the present work, the dynamical antifouling mechanism is explored via molecular dynamics simulations, while the corresponding experiments about surface properties of the zwitterionic monomer-grafted polyvinylidene difluoride membrane are designed to verify the simulated mechanism. Water can form a stable hydration layer at the grafted membrane surface, where all the simulated radial distribution function of water/membrane, hydrogen bond number, water diffusivity, and experimental oil contact angles are stable. However, the water flux across the membrane will increase first and then decrease as the grafting ratio increases, which not only depends on the reduced pore size of the zwitterionic monomer-grafted membrane but also results from water diffusion. Furthermore, the dynamical fouling processes of pollutants (taking sodium alginate as an example) on the grafted membrane in water and brine solution are investigated, where both the high grafting ratio and electrolyte CaCl2 can enhance the fouling energy barrier of the pollutant. The results show that both the enhanced hydrophilic property and the electrostatic repulsion can affect the antifouling capability of the grafted membrane. Finally, the ternary synergistic antifouling mechanisms among the zwitterionic membrane, electrolyte, and pollutant sodium alginates are discussed, which could be helpful for the rational design and preparation of new and highly efficient zwitterionic antifouling membranes.
资助项目	National Natural Science Foundation of China[21606245] ; National Natural Science Foundation of China[21808220] ; National Science and Technology Major Project[2016ZX05011-003] ; Beijing Natural Science Foundation[2184124]
WOS关键词	REVERSE-OSMOSIS MEMBRANES ; POLY(VINYLIDENE FLUORIDE) ; PVDF MEMBRANES ; FOULING PROPERTIES ; WATER ; SURFACE ; PERFORMANCE ; COPOLYMER ; BEHAVIOR ; BLEND
WOS研究方向	Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000465189000067
资助机构	National Natural Science Foundation of China ; National Science and Technology Major Project ; Beijing Natural Science Foundation
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/28236]
专题	中国科学院过程工程研究所
通讯作者	Liu, Zi-Yu; Wang, Yanlei
作者单位	1.Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Photochem Convers & Optoelect Mat, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Key Lab Green Proc & Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc,Inst Proc, Beijing 100190, Peoples R China 3.Beijing Univ Chem Technol, Coll Chem Engn, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China
推荐引用方式 GB/T 7714	Liu, Zi-Yu,Jiang, Qin,Jin, Zhiqiang,et al. Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study[J]. ACS APPLIED MATERIALS & INTERFACES,2019,11(15):14408-14417.
APA	Liu, Zi-Yu,Jiang, Qin,Jin, Zhiqiang,Sun, Zhenyu,Ma, Wangjing,&Wang, Yanlei.(2019).Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study.ACS APPLIED MATERIALS & INTERFACES,11(15),14408-14417.
MLA	Liu, Zi-Yu,et al."Understanding the Antifouling Mechanism of Zwitterionic Monomer-Grafted Polyvinylidene Difluoride Membranes: A Comparative Experimental and Molecular Dynamics Simulation Study".ACS APPLIED MATERIALS & INTERFACES 11.15(2019):14408-14417.