Nanofluids with enhanced thermal properties are candidates for thermal management in automotive systems, with scope for improving energy efficiency. In particular, many studies have reported on dispersions of nanoparticles with long-term stability in the base fluid, with qualitative evaluations of the dispersion stability via either the naked eye or optical instruments. Additives such as surfactants can be used to enhance the dispersion of nanoparticles; however, this may diminish their intrinsic thermal properties. Here, we describe molecular dynamics simulations of nanofluids containing graphene sheets dispersed in ethylene glycol and water. We go on to suggest a quantitative evaluation method for the degree of dispersion, based on the ratio of the total number of nanoparticles to the number of clustered nanoparticles. Moreover, we investigate the effects of functional groups on the surface of graphene, which are expected to improve the dispersion without requiring additives such as surfactants due to steric hindrance and chemical affinity for the surrounding fluid. We find that, for pure graphene, the degree of dispersion decreased as the quantity of graphene sheets increased, which is attributed to an increased probability of aggregation at higher loadings; however, the presence of functional groups inhibited the graphene sheets from forming aggregates.

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Aggregation is a critical limitation for the practical application of graphene-based materials. Herein, we report that graphene oxide (GO) nanosheets chemically modified with ethanolamine (EA), ethylene glycol (EG), and sulfanilic acid (SA) demonstrate superior dispersion stability in organic solvents, specifically EG, based on the differences in their covalent chemistries. Functionalized GO was successfully dispersed in EG at a concentration of 9.0 mg mL(-1) (0.50 vol %), the highest dispersion concentration reported to date. Moreover, our study introduces a unique analytical method for the assessment of dispersion stability and successfully quantifies the instability index based on transmission profiles under centrifugation cycles. Interestingly, GO-EG and GO-EA exhibited highly improved dispersion stabilities approximately 96 and 48 times greater than that of GO in EG solvent, respectively. This finding highlights the critical role of surface functional groups in the enhancement of chemical affinity and miscibility in the surrounding media. We anticipate that the novel structural designs and unique tools presented in this study will further the understanding and application of chemically functionalized carbon materials.

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