Molecular Dynamics Study of Interfacial Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water
Keyword(s):
The interfacial thermal resistance of 11-mercaptoundecanol (-S(CH2)11OH) self-assembled monolayer (SAM) adsorbed on Au(111) substrate and water was investigated using nonequilibrium molecular dynamics simulations. The interfacial thermal resistance was found to be a half of that in the system which consists of 1-dodecanthiol (-S(CH2)11CH3) SAM adsorbed on Au(111) and toluene [Kikugawa G. et al., J. Chem. Phys. (2009)]. The effective thermal energy transfer originates from hydrogen-bond structure between the SAM and water molecules in spite of weak structurization of water molecules near the SAM surface.
2010 ◽
Vol 2010.8
(0)
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pp. 69-70
2010 ◽
Vol 76
(768)
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pp. 1936-1938
2009 ◽
Vol 2009.1
(0)
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pp. 69-70
2008 ◽
Vol 31
(10)
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pp. 1935-1944
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Keyword(s):
2010 ◽
Vol 12
(17)
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pp. 4435
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