APM OpenIR
Dependence of zeolite topology on alkane diffusion inside diverse channels
Liu, Zhiqiang1; Zhou, Jian2; Tang, Xiaomin1,3; Liu, Fujian4; Yuan, Jiamin1,3; Li, Guangchao1,3; Huang, Ling1; Krishna, Rajamani5; Huang, Kuan6; Zheng, Anmin1
2020-05-21
Source PublicationAICHE JOURNAL
ISSN0001-1541
Pages14
AbstractZeolites have been widely used for the processes of adsorption, separation, and catalysis, which are strongly correlated with molecular diffusion. However, the correlation between pore dimension and diffusion properties has not been systematically investigated so far. In this work, the diffusion properties of alkanes in six zeolites with similar pore sizes but different pore dimension have been examined. It is found that the diffusion coefficients of alkanes in zeolites are 2-5 orders of magnitude smaller than that in gas phase. Moreover, the diffusion of alkanes inside zeolites is sensitive to the pore dimension, and can be differentiated by 1-D straight, 1-D tortuous, and 3-D intersecting channels, based on the derived quantitative correlation between the diffusion behavior and pore dimension. Our work may not only provide deep insights into the effects of pore dimension on diffusion, but also benefits for the future design and practical applications of zeolite catalysts.
Keywordconfined diffusion heterogeneous catalysis molecular simulations zeolite catalysts
Funding OrganizationChina Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province
DOI10.1002/aic.16269
WOS KeywordMOLECULAR-DYNAMICS SIMULATIONS ; N-ALKANES ; SELF-DIFFUSION ; PFG NMR ; RESONANT DIFFUSION ; NEUTRON-SCATTERING ; SILICA ZEOLITES ; CARBON-DIOXIDE ; SI/AL RATIO ; AB-INITIO
Language英语
Funding ProjectChina Petrochemical Corporation[417012-4] ; Chinese Academy of Sciences[QYZDBSSW-SLH026] ; National Natural Science Foundation of China[21802164] ; National Natural Science Foundation of China[21902180] ; National Natural Science Foundation of China[21991090] ; National Natural Science Foundation of China[21991092] ; National Natural Science Foundation of China[91645112] ; National Natural Science Foundation of China[U1832148] ; Natural Science Foundation of Hubei Province[2018CFA009]
Funding OrganizationChina Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province ; China Petrochemical Corporation ; China Petrochemical Corporation ; Chinese Academy of Sciences ; Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Hubei Province ; Natural Science Foundation of Hubei Province
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
WOS IDWOS:000534384900001
PublisherWILEY
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.apm.ac.cn/handle/112942/22607
Collection中国科学院武汉物理与数学研究所
Corresponding AuthorHuang, Kuan; Zheng, Anmin
Affiliation1.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Natl Ctr Magnet Resonance Wuhan, Wuhan Inst Phys & Math,Innovat Acad Precis Measur, Wuhan 430071, Peoples R China
2.SINOPEC, Shanghai Res Inst Petrochem Technol, Shanghai, Peoples R China
3.Univ Chinese Acad Sci, Beijing, Peoples R China
4.Fuzhou Univ, Natl Engn Res Ctr Chem Fertilizer Catalyst NERC C, Sch Chem Engn, Fuzhou, Peoples R China
5.Univ Amsterdam, Vant Hoff Inst Mol Sci, Amsterdam, Netherlands
6.Nanchang Univ, Sch Resources Environm & Chem Engn, Key Lab Poyang Lake Environm & Resource Utilizat, Minist Educ, Nanchang 330031, Jiangxi, Peoples R China
Recommended Citation
GB/T 7714
Liu, Zhiqiang,Zhou, Jian,Tang, Xiaomin,et al. Dependence of zeolite topology on alkane diffusion inside diverse channels[J]. AICHE JOURNAL,2020:14.
APA Liu, Zhiqiang.,Zhou, Jian.,Tang, Xiaomin.,Liu, Fujian.,Yuan, Jiamin.,...&Zheng, Anmin.(2020).Dependence of zeolite topology on alkane diffusion inside diverse channels.AICHE JOURNAL,14.
MLA Liu, Zhiqiang,et al."Dependence of zeolite topology on alkane diffusion inside diverse channels".AICHE JOURNAL (2020):14.
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