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DOI10.1073/pnas.1815943116
Probing the link between residual entropy and viscosity of molecular fluids and model potentials
Bell I.H.
发表日期2019
ISSN0027-8424
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
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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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