Abstract
We performed molecular dynamics simulations of the interface which is comprised of self-assembled monolayer (SAM) and water solvent to investigate heat transfer characteristics. In particular, local thermal boundary conductance (TBC), which is an inverse of so-called Kapitza resistance, at the SAM-solvent interface was evaluated by using the nonequilibrium MD (NEMD) technique in which the one-dimensional thermal energy flux was imposed across the interface. By using two kinds of SAM terminal with hydrophobic and hydrophilic properties, the local TBCs of these interfaces with water solvent were evaluated, and the result showed a critical difference due to an affinity between SAM and solvent. In order to elucidate the reason for this difference, microscopic components contributing to thermal energy flux across the interface were evaluated in detail, i.e., the total thermal energy flux is decomposed into the contribution of molecular transport and that of energy exchange by molecular interactions.
Original language | English |
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Title of host publication | ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011 |
Publication status | Published - 2011 Dec 1 |
Event | ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011 - Honolulu, HI, United States Duration: 2011 Mar 13 → 2011 Mar 17 |
Other
Other | ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011 |
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Country | United States |
City | Honolulu, HI |
Period | 11/3/13 → 11/3/17 |
ASJC Scopus subject areas
- Energy Engineering and Power Technology