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DOI | 10.1073/pnas.1815943116 |
Probing the link between residual entropy and viscosity of molecular fluids and model potentials | |
Bell I.H. | |
发表日期 | 2019 |
ISSN | 0027-8424 |
起始页码 | 4070 |
结束页码 | 4079 |
卷号 | 116期号:10 |
英文摘要 | This work investigates the link between residual entropy and viscosity based on wide-ranging, highly accurate experimental and simulation data. This link was originally postulated by Rosenfeld in 1977 [Rosenfeld Y (1977) Phys Rev A 15:2545–2549], and it is shown that this scaling results in an approximately monovariate relationship between residual entropy and reduced viscosity for a wide range of molecular fluids [argon, methane, CO 2 , SF 6 , refrigerant R-134a (1,1,1,2-tetrafluoroethane), refrigerant R-125 (pentafluoroethane), methanol, and water] and a range of model potentials (hard sphere, inverse power, Lennard-Jones, and Weeks–Chandler–Andersen). While the proposed “universal” correlation of Rosenfeld is shown to be far from universal, when used with the appropriate density scaling for molecular fluids, the viscosity of nonassociating molecular fluids can be mapped onto the model potentials. This mapping results in a length scale that is proportional to the cube root of experimentally measurable liquid volume values. © 2019 National Academy of Sciences. All Rights Reserved. |
英文关键词 | Entropy; Scaling; Viscosity |
语种 | 英语 |
scopus关键词 | argon; carbon dioxide; ethane; methane; methanol; norflurane; pentafluoroethane; unclassified drug; water; Article; chemical parameters; correlational study; entropy; liquid; mathematical computing; mathematical model; molecular dynamics; priority journal; residual entropy; viscosity; volume |
来源期刊 | Proceedings of the National Academy of Sciences of the United States of America |
文献类型 | 期刊论文 |
条目标识符 | http://gcip.llas.ac.cn/handle/2XKMVOVA/160405 |
作者单位 | Bell, I.H., Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, CO 80305, United States |
推荐引用方式 GB/T 7714 | Bell I.H.. Probing the link between residual entropy and viscosity of molecular fluids and model potentials[J],2019,116(10). |
APA | Bell I.H..(2019).Probing the link between residual entropy and viscosity of molecular fluids and model potentials.Proceedings of the National Academy of Sciences of the United States of America,116(10). |
MLA | Bell I.H.."Probing the link between residual entropy and viscosity of molecular fluids and model potentials".Proceedings of the National Academy of Sciences of the United States of America 116.10(2019). |
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