scholarly journals A Molecular Dynamics Study on Thermal Boundary Resistance over the Interfaces of Self-Assembled Monolayer and Solvent(Thermal Engineering)

2009 ◽  
Vol 75 (749) ◽  
pp. 146-154 ◽  
Author(s):  
Gota KIKUGAWA ◽  
Taku OHARA ◽  
Toru KAWAGUCHI ◽  
Eiichi TORIGOE ◽  
Yasumasa HAGIWARA ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Boundary Resistance ◽  
Thermal Engineering ◽  
Thermal Boundary Resistance ◽  
Self Assembled Monolayer ◽  
Self Assembled

Molecular Dynamics Study of Interfacial Thermal Resistance of Mercapto-Alkanol Self-Assembled Monolayer and Water

2009 ◽  
Author(s):  
Touru Kawaguchi ◽  
Gota Kikugawa ◽  
Ikuya Kinefuchi ◽  
Taku Ohara ◽  
Shinichi Yatuzuka ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Thermal Resistance ◽  
Chem Phys ◽  
Nonequilibrium Molecular Dynamics ◽  
Interfacial Thermal Resistance ◽  
Water Molecules ◽  
Self Assembled Monolayer ◽  
Self Assembled ◽  
Dynamics Simulations

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.

scholarly journals Molecular dynamics study of laccase immobilized on self-assembled monolayer-modified Au

2017 ◽  
Vol 52 (21) ◽  
pp. 12848-12853 ◽  
Author(s):  
Naoki Miyazawa ◽  
Masahiro Tanaka ◽  
Masataka Hakamada ◽  
Mamoru Mabuchi
Keyword(s):  
Molecular Dynamics ◽  
Self Assembled Monolayer ◽  
Self Assembled
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