Thermal conductivity enhancement of nanofluids composed of rod-shaped gold nanoparticles: Insights from molecular dynamics

被引：48
作者：
Essajai, R. [1 ]
Mzerd, A. [1 ]
Hassanain, N. [1 ]
Qjani, M. [2 ]
机构：
[1] Mohammed V Univ, Fac Sci, Grp Semicond & Environm Sensor Technol, Energy Res Ctr, BP 1014, Rabat, Morocco
[2] Chouaib Doukkali Univ, Fac Sci, LCMP, BP 20, El Jadida, Morocco
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2019年 / 293卷
关键词：
Argon-based nanofluid; Rod-shaped gold nanoparticles; Thermal conductivity; Diffusion coefficient; Molecular dynamics simulations; LIQUID-SOLID INTERFACE; EMBEDDED-ATOM METHOD; PARTICLE-SIZE; HEAT-TRANSFER; SIMULATION; DIFFUSIVITY; CONVECTION; FLUIDS; LAYER; ARGON;
D O I：
10.1016/j.molliq.2019.111494
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Achieving a higher heat transfer in nanofluids is one of the most important scientific challenges in order to reach a better efficiency in several sectors of technology. Here, the thermal conductivity enhancement of nanofluids composed of rod-shaped gold nanoparticles (AuNPs) compared to that of nanofluids with spherical-shaped AuNPs has been investigated by means of Equilibrium Molecular Dynamics (EMD) simulations combined with the hybrid pair potential option in a LAMMPS software which incorporate the Embedded-Atom-Method (EAM) potential and the 12-6 Lennard-Jones (LJ) one. The EAM potential was used to describe solid-solid interatomic interactions, while the interactions solid-liquid and liquid-liquid were modeled by employing the LJ potential. The simulation results illustrated that the suspension of the rod AuNP in base fluids is more effective in improving the effective thermal conductivity of nanofluids than that of the spherical AuNP. Mechanisms behind this finding are discussed using the Mean-Square-Displacement (MSD) and Radial-Distribution-Function (RDF). Several parameters like NP surface effect, solid-liquid interface and the enhanced mobility of liquid atoms in nanofluids were considered to explain the results. (C) 2019 Elsevier B.V. All rights reserved.
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页数：8
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