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• W2126854906 abstract "We studied by molecular dynamics simulations the temperature dependence of hydrophobic association and drying transition of large-scale solutes. Similar to the behavior of small solutes, we found the association process to be characterized by a large negative heat capacity change. The origin of this large change in heat capacity is the high fragility of hydrogen bonds between water molecules at the interface with hydrophobic solutes; an increase in temperature breaks more hydrogen bonds at the interface than in the bulk. With increasing temperature, both entropy and enthalpy changes for association strongly decrease, while the change in free energy weakly varies, exhibiting a small minimum at high temperatures. At around T = Ts = 360 K, the change in entropy is zero, a behavior similar to the solvation of small nonpolar solutes. Unexpectedly, we find that at Ts, there is still a substantial orientational ordering of the interfacial water molecules relative to the bulk. Nevertheless, at this point, the change in entropy vanishes due to a compensating contribution of translational entropy. Thus, at Ts, there is rotational order and translational disorder of the interfacial water relative to bulk water. In addition, we studied the temperature dependence of the drying−wetting transition. By calculating the contact angle of water on the hydrophobic surface at different temperatures, we compared the critical distance observed in the simulations with the critical distance predicted by macroscopic theory. Although the deviations of the predicted from the observed values are very small (8−23%), there seems to be an increase in the deviations with an increase in temperature. We suggest that these deviations emerge due to increased fluctuations, characterizing finite systems, as the temperature increases." @default.
• W2126854906 created "2016-06-24" @default.
• W2126854906 creator A5016053493 @default.
• W2126854906 creator A5066159634 @default.
• W2126854906 date "2008-06-26" @default.
• W2126854906 modified "2023-09-23" @default.
• W2126854906 title "Temperature Dependence of Dimerization and Dewetting of Large-Scale Hydrophobes: A Molecular Dynamics Study" @default.
• W2126854906 cites W1494326194 @default.
• W2126854906 cites W1542105638 @default.
• W2126854906 cites W157808733 @default.
• W2126854906 cites W187801720 @default.
• W2126854906 cites W1964261766 @default.
• W2126854906 cites W1967561978 @default.
• W2126854906 cites W1970422665 @default.
• W2126854906 cites W1975526552 @default.
• W2126854906 cites W1975973409 @default.
• W2126854906 cites W1980882671 @default.
• W2126854906 cites W1983423436 @default.
• W2126854906 cites W1985801058 @default.
• W2126854906 cites W1986252462 @default.
• W2126854906 cites W1990491270 @default.
• W2126854906 cites W1991228974 @default.
• W2126854906 cites W1991794210 @default.
• W2126854906 cites W1992210899 @default.
• W2126854906 cites W1993214026 @default.
• W2126854906 cites W1996975501 @default.
• W2126854906 cites W2005380672 @default.
• W2126854906 cites W2006095154 @default.
• W2126854906 cites W2008065785 @default.
• W2126854906 cites W2008819364 @default.
• W2126854906 cites W2008846230 @default.
• W2126854906 cites W2009203298 @default.
• W2126854906 cites W2009393189 @default.
• W2126854906 cites W2009755440 @default.
• W2126854906 cites W2011447313 @default.
• W2126854906 cites W2014319912 @default.
• W2126854906 cites W2015517515 @default.
• W2126854906 cites W2016969237 @default.
• W2126854906 cites W2017196167 @default.
• W2126854906 cites W2021163287 @default.
• W2126854906 cites W2023395531 @default.
• W2126854906 cites W2035266068 @default.
• W2126854906 cites W2039090575 @default.
• W2126854906 cites W2039112756 @default.
• W2126854906 cites W2039973391 @default.
• W2126854906 cites W2040004688 @default.
• W2126854906 cites W2041780937 @default.
• W2126854906 cites W2046802317 @default.
• W2126854906 cites W2049475242 @default.
• W2126854906 cites W2051729464 @default.
• W2126854906 cites W2051844996 @default.
• W2126854906 cites W2053798150 @default.
• W2126854906 cites W2056929083 @default.
• W2126854906 cites W2057155675 @default.
• W2126854906 cites W2057431120 @default.
• W2126854906 cites W2062473668 @default.
• W2126854906 cites W2078889580 @default.
• W2126854906 cites W2085806783 @default.
• W2126854906 cites W2086426011 @default.
• W2126854906 cites W2086546357 @default.
• W2126854906 cites W2086792235 @default.
• W2126854906 cites W2088606642 @default.
• W2126854906 cites W2089539413 @default.
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• W2126854906 cites W2123768693 @default.
• W2126854906 cites W2131754023 @default.
• W2126854906 cites W2134036374 @default.
• W2126854906 cites W2148712714 @default.
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• W2126854906 cites W2312733215 @default.
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• W2126854906 doi "https://doi.org/10.1021/jp802135c" @default.
• W2126854906 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18582012" @default.
• W2126854906 hasPublicationYear "2008" @default.
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