4.6 Article

Reactive molecular dynamics simulation of thermo-physicochemical properties of non-covalent functionalized graphene nanofluids

Journal

MATERIALS TODAY COMMUNICATIONS
Volume 32, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.mtcomm.2022.103869

Keywords

Thermophysical properties; Graphene; Non -covalent functionalization; Electrostatic force; Stability; Reactive molecular dynamics

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This paper investigates the effect of different surfactants on the thermophysical properties and stability of water/ethylene glycol-graphene nanofluids. The results show that the addition of surfactants can improve the viscosity and thermal conductivity of the nanofluids, with a greater impact on the thermophysical properties than on the stability. These findings can be used to produce nanofluids with optimized performance.
In this paper, the effect of adding sodium dodecyl benzenesulfonate(SDBS), sodium dodecyl sulfate (SDS), and triton X-100 on the thermophysical properties and the stability of water/ethylene glycol- graphene (G)- nanofluids (NFs) was investigated. Final observations demonstrate that the viscosity of NFs with 0.036 wt% of surfactants in comparison with 0.013 wt% NFs improved by 6.29%, 79.36%, and 39.13% for triton X-100, SDS, and SDBS, respectively. In addition, by increasing the fraction of SDS surfactant from 0.036 to 0.051 wt% thermal conductivity was enhanced by 84%. It was found that the thermophysical properties of NFs were more affected than their stability by adding surfactants. The results of this study can be used to produce G-NFs with optimized thermophysical properties and stability by using suitable surfactants.

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