Excess-entropy scaling of dynamics for methane in various nanoporous materials
文献类型：期刊论文
| 作者 | He, Peng; Li, Huiquan1; Hou, Xinjuan |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2014-02-11 |
| 卷号 | 593期号:1页码:83-88 |
| 关键词 | metal-organic frameworks monte-carlo diffusion-coefficient molecular simulation adsorption zeolite co2 separation benzene water |
| ISSN号 | 0009-2614 |
| 其他题名 | Chem. Phys. Lett. |
| 中文摘要 | 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. |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | METAL-ORGANIC FRAMEWORKS ; MONTE-CARLO ; DIFFUSION-COEFFICIENT ; MOLECULAR SIMULATION ; ADSORPTION ; ZEOLITE ; CO2 ; SEPARATION ; BENZENE ; WATER |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000331709300017 |
| 公开日期 | 2014-05-06 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/8093]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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