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- W2038182017 endingPage "1574" @default.
- W2038182017 startingPage "1545" @default.
- W2038182017 abstract "The mobility of simple ions such as alkali–metal and halide ions at room temperature shows two anomalies. Firstly, there are maxima in mobilities as a function of ion size for both positive and negative ions and, secondly, the maximum for negative ions occurs at a larger ionic radius than the maximum for positive ions. Theoretical treatments of this problem are reviewed and it is concluded that a molecular treatment of the system is needed to understand the results. Computer simulation using the simple point charge model (SPC/E) for water reproduced the observations and is used to discuss the application of theories. In particular, the nature of the first solvation shell is correlated with ion mobility. Simulation reveals a further anomaly, namely that if the charge is removed from a large ion, then it moves more slowly. This is interpreted as the result of formation of a solvent cage around the hydrophobic solute. The changes in local structure resulting from changes in charge and size also affect the solvation thermodynamics. Simulations show that the solvation entropy has a double maximum when viewed as a function of charge. The local minimum near zero charge is interpreted as being due to hydrophobic order, and the maxima as the result of structure breaking. This double maximum in the entropy of solvation is a signature of the hydrophobic cage effect. Comparisons are made between ion mobilities in liquid water at ambient and supercritical conditions." @default.
- W2038182017 created "2016-06-24" @default.
- W2038182017 creator A5054769976 @default.
- W2038182017 creator A5084443812 @default.
- W2038182017 date "2001-08-15" @default.
- W2038182017 modified "2023-10-16" @default.
- W2038182017 title "Computer simulation studies of the structure and dynamics of ions and non–polar solutes in water" @default.
- W2038182017 cites W1501812329 @default.
- W2038182017 cites W1964761757 @default.
- W2038182017 cites W1968925848 @default.
- W2038182017 cites W1970201026 @default.
- W2038182017 cites W1971589141 @default.
- W2038182017 cites W1972382715 @default.
- W2038182017 cites W1974670705 @default.
- W2038182017 cites W1975510301 @default.
- W2038182017 cites W1976369642 @default.
- W2038182017 cites W1980562480 @default.
- W2038182017 cites W1980995972 @default.
- W2038182017 cites W1983488972 @default.
- W2038182017 cites W1986961755 @default.
- W2038182017 cites W1987928598 @default.
- W2038182017 cites W1992210899 @default.
- W2038182017 cites W1993181676 @default.
- W2038182017 cites W1997293822 @default.
- W2038182017 cites W1999035037 @default.
- W2038182017 cites W2000710532 @default.
- W2038182017 cites W2001633912 @default.
- W2038182017 cites W2002157308 @default.
- W2038182017 cites W2003691520 @default.
- W2038182017 cites W2004287213 @default.
- W2038182017 cites W2005773884 @default.
- W2038182017 cites W2008065785 @default.
- W2038182017 cites W2008241402 @default.
- W2038182017 cites W2009565067 @default.
- W2038182017 cites W2009755440 @default.
- W2038182017 cites W2011107212 @default.
- W2038182017 cites W2011896871 @default.
- W2038182017 cites W201413118 @default.
- W2038182017 cites W2014221339 @default.
- W2038182017 cites W2016426564 @default.
- W2038182017 cites W2022277299 @default.
- W2038182017 cites W2024132361 @default.
- W2038182017 cites W2027246830 @default.
- W2038182017 cites W2028896809 @default.
- W2038182017 cites W2029850668 @default.
- W2038182017 cites W2031523344 @default.
- W2038182017 cites W2033302151 @default.
- W2038182017 cites W2034537976 @default.
- W2038182017 cites W2038475230 @default.
- W2038182017 cites W2041178750 @default.
- W2038182017 cites W2041931011 @default.
- W2038182017 cites W2042285588 @default.
- W2038182017 cites W2044229836 @default.
- W2038182017 cites W2045238980 @default.
- W2038182017 cites W2048255344 @default.
- W2038182017 cites W2048291121 @default.
- W2038182017 cites W2049312832 @default.
- W2038182017 cites W2049475242 @default.
- W2038182017 cites W2052737939 @default.
- W2038182017 cites W2055442639 @default.
- W2038182017 cites W2058073387 @default.
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- W2038182017 cites W2081948633 @default.
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- W2038182017 cites W2085366154 @default.
- W2038182017 cites W2086009682 @default.
- W2038182017 cites W2086145503 @default.
- W2038182017 cites W2087514108 @default.
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- W2038182017 cites W2089021931 @default.
- W2038182017 cites W2090604699 @default.
- W2038182017 cites W2093305454 @default.
- W2038182017 cites W2093806300 @default.
- W2038182017 cites W2137148785 @default.
- W2038182017 cites W2138772964 @default.
- W2038182017 cites W2139567539 @default.
- W2038182017 cites W2147562143 @default.
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- W2038182017 cites W2171193351 @default.
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- W2038182017 doi "https://doi.org/10.1098/rsta.2001.0865" @default.
- W2038182017 hasPublicationYear "2001" @default.
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