Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl

doi:10.3390/membranes13090749

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	Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl
	Cheng, Ziqi 1; Li, Shen 1; Tocci, Elena 2; Saielli, Giacomo 3,4; Gugliuzza, Annarosa 2; Wang, Yanting 1,5
刊名	MEMBRANES
	2023
卷号	13 期号:9 页码:749
关键词	MIXED MATRIX MEMBRANES SIMULATIONS PERFORMANCE ELECTROLYTES TRANSITION SEPARATION CRYSTALS BEHAVIOR SURFACE STATE
DOI	10.3390/membranes13090749
英文摘要	Water transport through membranes is an attractive topic among the research dedicated to dehydration processes, microenvironment regulation, or more simply, recovery of freshwater. Herein, an atomistic computer simulation is proposed to provide new insights about a water vapor transport mechanism through PEBAX membranes filled with ionic liquid (IL) [C(12)C(1)im]Cl. Starting from experimental evidence that indicates an effective increase in water permeation as the IL is added to the polymer matrix (e.g., up to 85 center dot 10(-3) (g center dot m)/(m(2)center dot day) at 318.15 K for PEBAX@2533 membranes loaded with 70% of IL), molecular dynamics simulations are proposed to explore the key role of IL in water transport inside membranes. The polar region composed of anions and cationic head groups of the IL is demonstrated to serve as the pathway for water transport through the membrane. Water molecules always stay near the pathway, which becomes wider and thus has a larger water-accessible area with increasing IL concentration. Hence, the diffusion coefficients of water molecules and ions increase as the IL concentration increases. The simulation provides useful indications about a microscopic mechanism that regulates the transport of water vapor through a kind of PEBAX/IL membrane, resulting in full agreement with the experimental evidence.
学科主题	Biochemistry & Molecular Biology ; Chemistry ; Engineering ; Materials Science ; Polymer Science
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/28046]
专题	理论物理研究所_理论物理所1978-2010年知识产出
作者单位	1.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China 3.Natl Res Council Inst Membrane Technol CNR ITM, Via Pietro Bucci 17C, I-87036 Arcavacata Di Rende, Italy 4.Natl Res Council Inst Membrane Technol CNR ITM, Unit Padova, Via Marzolo 1, I-35131 Padua, Italy 5.Univ Padua, Dept Chem Sci, Via Marzolo 1, I-35131 Padua, Italy 6.Univ Chinese Acad Sci, Wenzhou Inst, Ctr Theoret Interdisciplinary Sci, Wenzhou 325001, Peoples R China
推荐引用方式 GB/T 7714	Cheng, Ziqi,Li, Shen,Tocci, Elena,et al. Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl[J]. MEMBRANES,2023,13(9):749.
APA	Cheng, Ziqi,Li, Shen,Tocci, Elena,Saielli, Giacomo,Gugliuzza, Annarosa,&Wang, Yanting.(2023).Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl.MEMBRANES,13(9),749.
MLA	Cheng, Ziqi,et al."Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl".MEMBRANES 13.9(2023):749.