Molecular dynamics simulation of heat transfer through a water layer between two platinum slabs

E. Iype, E.J. Arlemark, S.V. Nedea, C.C.M. Rindt, H.A. Zondag

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

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Abstract

Heat transfer through micro channels is being investigated due to its importance in micro channel cooling applications. Molecular dynamics simulation is regarded as a potential tool for studying such microscopic phenomena in detail. However, the applicability of molecular dynamics method is limited due to scarcely known inter atomic interactions involved in complex fluids. In this study we use an empirical force field (ReaxFF), which is parameterized using accurate quantum chemical simulation results for water, to simulate heat transfer phenomena through a layer of water confined between two platinum slabs. The model for water seems to reproduce the macroscopic properties such as density, radial distribution function and diffusivity quite well. The heat transfer phenomena through a channel filled with water, which is confined by two platinum (100) surfaces are studied using ReaxFF. The model accurately predicts the formation of surface mono-layer. The heat transfer analysis shows temperature jumps near the walls which are creating significant heat transfer resistances. A low bulk density in the channel creates a multi-phase region with vapor transport in the region.
Original languageEnglish
Title of host publication6th European Thermal Sciences Conference (Eurotherm 2012), Poitiers, France
EditorsD. Petit, C. Niliot, Le
PublisherInstitute of Physics
Pages012111-
DOIs
Publication statusPublished - 2012
Eventconference; 6th European Thermal Sciences Conference (Eurotherm 2012), September 04 - 07, 2012, Poitiers, France - Poitiers, France
Duration: 4 Sep 20124 Sep 2012

Publication series

NameJournal of Physics: Conference Series
Volume395
ISSN (Print)1742-6588

Conference

Conferenceconference; 6th European Thermal Sciences Conference (Eurotherm 2012), September 04 - 07, 2012, Poitiers, France
Abbreviated titleEurotherm 2012
CountryFrance
CityPoitiers
Period4/09/124/09/12
Other6th European Thermal Sciences Conference (Eurotherm 2012), Poitiers, France

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    Iype, E., Arlemark, E. J., Nedea, S. V., Rindt, C. C. M., & Zondag, H. A. (2012). Molecular dynamics simulation of heat transfer through a water layer between two platinum slabs. In D. Petit, & C. Niliot, Le (Eds.), 6th European Thermal Sciences Conference (Eurotherm 2012), Poitiers, France (pp. 012111-). (Journal of Physics: Conference Series; Vol. 395). Institute of Physics. https://doi.org/10.1088/1742-6596/395/1/012111