Molecule design of effective C2H4/C2H6 separation membranes: From 2D nanoporous graphene to 3D AHT zeolite

doi:10.1016/j.memsci.2020.118033

	Molecule design of effective C2H4/C2H6 separation membranes: From 2D nanoporous graphene to 3D AHT zeolite
	Xu, Yinxiang 1,2,4; Xu, Junbo 1; Yang, Chao 1,3
刊名	JOURNAL OF MEMBRANE SCIENCE
	2020-06-01
卷号	604 页码:8
关键词	AHT zeolite membrane C2H4/C2H6 separation Molecular sieving Molecular dynamics simulation
ISSN号	0376-7388
DOI	10.1016/j.memsci.2020.118033
英文摘要	It is of great importance and challenge to explore effective membranes with optimal pore structures from diverse porous materials to replace energy-intensive cryogenic distillation processes for C2H4/C2H6 separation because of their similar physical properties. In this work, we proposed a strategy to screen the ideal 3D zeolite membrane by matching the zeolite structure to the designed 2D nanopore. Here, we found out the ideal AHT zeolite membrane with elliptical windows similar to the designed graphene-embedded 22-crown-8 ether pore with ultrahigh selectivity of C2H4/C2H6 mixtures via molecular dynamics simulations. The results demonstrate that the AHT zeolite membrane only allows the transport of C2H4 based on molecular size exclusion, which is validated by density functional theory calculations. Furthermore, the permeation performance studies of pure components demonstrate that the AHT zeolite membrane exhibits a C2H4/C(2)H(6 )selectivity of around 100 and a C2H4 permeability of 958 Barrer, superior to most of reported membrane materials.
资助项目	National Key R&D Program of China[2016YFB0301702] ; National Natural Science Foundation of China[21878298] ; National Natural Science Foundation of China[51808362] ; National Natural Science Foundation of China[31961133018] ; Key Research Program of Frontier Sciences of CAS[QYZDJ-SSW-JSC030] ; Youth Innovation Research Project of Science and Technology Department in Sichuan[2017TD0027] ; DNL Cooperation Fund, CAS[DNL201902] ; Key Research Program of Provincial Science and Technology Department in Sichuan[2017SZ0167] ; Research Program of Sichuan Provincial Key Lab of Process Equipment and Control Engineering[GK201704]
WOS关键词	IONIC LIQUID-MEMBRANES ; OLEFIN/PARAFFIN SEPARATION ; FACILITATED TRANSPORT ; ETHYLENE/ETHANE SEPARATION ; POLYMER MEMBRANES ; CARBON MEMBRANES ; GAS SEPARATION ; PERFORMANCE ; SELECTIVITY ; MIXTURES
WOS研究方向	Engineering ; Polymer Science
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000545790200005
资助机构	National Key R&D Program of China ; National Natural Science Foundation of China ; Key Research Program of Frontier Sciences of CAS ; Youth Innovation Research Project of Science and Technology Department in Sichuan ; DNL Cooperation Fund, CAS ; Key Research Program of Provincial Science and Technology Department in Sichuan ; Research Program of Sichuan Provincial Key Lab of Process Equipment and Control Engineering
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/41292]
专题	中国科学院过程工程研究所
通讯作者	Xu, Junbo; Yang, Chao
作者单位	1.Chinese Acad Sci, Inst Proc Engn, CAS Key Lab Green Proc & Engn, Beijing 100190, Peoples R China 2.Sichuan Univ Sci & Engn, Coll Mech Engn, Zigong 643000, Sichuan, Peoples R China 3.Chinese Acad Sci, Green Manufacture Inst, Beijing 100190, Peoples R China 4.Beihang Univ, Sch Space & Environm, Beijing 100191, Peoples R China
推荐引用方式 GB/T 7714	Xu, Yinxiang,Xu, Junbo,Yang, Chao. Molecule design of effective C2H4/C2H6 separation membranes: From 2D nanoporous graphene to 3D AHT zeolite[J]. JOURNAL OF MEMBRANE SCIENCE,2020,604:8.
APA	Xu, Yinxiang,Xu, Junbo,&Yang, Chao.(2020).Molecule design of effective C2H4/C2H6 separation membranes: From 2D nanoporous graphene to 3D AHT zeolite.JOURNAL OF MEMBRANE SCIENCE,604,8.
MLA	Xu, Yinxiang,et al."Molecule design of effective C2H4/C2H6 separation membranes: From 2D nanoporous graphene to 3D AHT zeolite".JOURNAL OF MEMBRANE SCIENCE 604(2020):8.