MOLECULAR DYNAMICS STUDY ON INTERFACIAL THERMAL RESISTANCE BETWEEN ORGANIC NANOPARTICLES AND ALKALI MOLTEN SALT MIXTURES Academic Article uri icon

abstract

  • 2017 by Begell House, Inc. Interfacial thermal resistances between organic nanoparticles and liquid alkali molten salt mixtures were estimated using molecular dynamics simulations. In order to understand the interfacial thermal resistance behaviors as to different particles, three carbon particlessingle-wall carbon nanotube (SWNT), fullerene (C60), and graphite sheetswere employed in this study. Transient heat transfer between a carbon particle and molecules of the molten salt mixtures were simulated on the basis of the lumped capacitance method. The effects of material properties, and particle shapes and sizes on the interfacial thermal resistance were investigated. Additionally, the characteristics of the molten salt mixture molecules in liquid phase were comprehended by plotting local density variations along the relative position from the particle: the existence of the compressed liquid layer was confirmed. Finally, the interfacial thermal resistance of functionalized SWNT using two functional groups (carboxylic and amine groups) was estimated and also the critical diameter of the nanoparticle which maximizes the thermal conductivity and the specific heat capacity of molten salt nanofluids was predicted.

published proceedings

  • INTERNATIONAL JOURNAL FOR MULTISCALE COMPUTATIONAL ENGINEERING

author list (cited authors)

  • Jo, B., & Banerjee, D.

citation count

  • 4

complete list of authors

  • Jo, Byeongnam||Banerjee, Debjyoti

publication date

  • January 2017