Knowledge Management System Of Institute of process engineering,CAS
| Excess-entropy scaling of dynamics for methane in various nanoporous materials | |
| Alternative Title | Chem. Phys. Lett. |
| He, Peng; Li, Huiquan1; Hou, Xinjuan | |
| 2014-02-11 | |
| Source Publication | CHEMICAL PHYSICS LETTERS
 |
| ISSN | 0009-2614 |
| Volume | 593Issue:1Pages:83-88 |
| Abstract | Molecular simulation was conducted to test the validity of two excess entropy scaling laws proposed by Rosenfeld and Dzugutov for extending their use in describing the diffusion of CH4 molecules through zeolites and metal-organic frameworks. The functional relationships between self-diffusivity and excess entropy formulated by the two laws are found to hold with the modified pre-exponential scaling parameters. Based on this finding, new relations for the two scaling laws are proposed for predicting the diffusivities of CH4 molecules in nanoporous materials within a wide range of concentrations and temperature conditions. Crown Copyright (C) 2013 Published by Elsevier B. V. All rights reserved.; Molecular simulation was conducted to test the validity of two excess entropy scaling laws proposed by Rosenfeld and Dzugutov for extending their use in describing the diffusion of CH4 molecules through zeolites and metal-organic frameworks. The functional relationships between self-diffusivity and excess entropy formulated by the two laws are found to hold with the modified pre-exponential scaling parameters. Based on this finding, new relations for the two scaling laws are proposed for predicting the diffusivities of CH4 molecules in nanoporous materials within a wide range of concentrations and temperature conditions. Crown Copyright (C) 2013 Published by Elsevier B. V. All rights reserved. |
| Keyword | Metal-organic Frameworks Monte-carlo Diffusion-coefficient Molecular Simulation Adsorption Zeolite Co2 Separation Benzene Water |
| Subtype | Article |
| WOS Headings | Science & Technology ; Physical Sciences |
| DOI | 10.1016/j.cplett.2013.12.044 |
| URL | 查看原文 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | METAL-ORGANIC FRAMEWORKS ; MONTE-CARLO ; DIFFUSION-COEFFICIENT ; MOLECULAR SIMULATION ; ADSORPTION ; ZEOLITE ; CO2 ; SEPARATION ; BENZENE ; WATER |
| WOS Research Area | Chemistry ; Physics |
| WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| WOS ID | WOS:000331709300017 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Version | 出版稿 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/8093 |
| Collection | 研究所（批量导入） |
| Affiliation | 1.Chinese Acad Sci, Inst Proc & Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Inst Proc & Engn, Natl Engn Lab Hydromet Cleaner Prod Technol, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | He, Peng,Li, Huiquan,Hou, Xinjuan. Excess-entropy scaling of dynamics for methane in various nanoporous materials[J]. CHEMICAL PHYSICS LETTERS,2014,593(1):83-88. |
| APA | He, Peng,Li, Huiquan,&Hou, Xinjuan.(2014).Excess-entropy scaling of dynamics for methane in various nanoporous materials.CHEMICAL PHYSICS LETTERS,593(1),83-88. |
| MLA | He, Peng,et al."Excess-entropy scaling of dynamics for methane in various nanoporous materials".CHEMICAL PHYSICS LETTERS 593.1(2014):83-88. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Excess-entropy scali（389KB） | 限制开放 | CC BY-NC-SA | Application Full Text | |||
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