Can graphene improve the thermal conductivity of copper nanofluids?

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dc.contributor.authorOlguin-Orellana, Gabriel J. J.
dc.contributor.authorSoldano, German J.
dc.contributor.authorAlzate-Morales, Jans
dc.contributor.authorCamarada, Maria B.
dc.contributor.authorMariscal, Marcelo M. M.
dc.date.accessioned2025-01-20T20:18:07Z
dc.date.available2025-01-20T20:18:07Z
dc.date.issued2023
dc.description.abstractCopper (Cu) nanofluids (NFs) have attracted attention due to their high thermal conductivity, which has conferred a wide variety of applications. However, their high reactivity favors oxidation, corrosion and aggregation, leading them to lose their properties of interest. Copper capped by graphene (Cu@G) core@shell nanoparticles (NPs) have also attracted interest from the medical and industrial sectors because graphene can shield the Cu NPs from undesired phenomena. Additionally, they share some properties that expand the range of applications of Cu NFs. In this work, new Morse potentials are reported to reproduce the behavior of Cu@G NPs through molecular dynamics. Coordination-dependent Morse parameters were fitted for C, H, and Cu based on density functional theory calculations. Then, these parameters were implemented to evaluate the thermal conductivity of Cu@G NFs employing the Green-Kubo formalism, with NPs from 1.5 to 6.1 nm at 100 to 800 K, varying the size, the number of layers and the orientation of the graphene flakes. It was found that Cu@G NFs are stable and have an improved thermal conductivity compared to the Cu NFs, being 3.7 to 18.2 times higher at 300 K with only one graphene layer and above 26.2 times higher for the graphene-trilayered NPs. These values can be higher for temperatures below 300 K. Oppositely, the size, homogeneity and orientations of the graphene flakes did not affect the thermal conductivity of the Cu@G NFs.
dc.fuente.origenWOS
dc.identifier.doi10.1039/d3cp00064h
dc.identifier.eissn1463-9084
dc.identifier.issn1463-9076
dc.identifier.urihttps://doi.org/10.1039/d3cp00064h
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/92442
dc.identifier.wosidWOS:000928627600001
dc.issue.numero7
dc.language.isoen
dc.pagina.final5500
dc.pagina.inicio5489
dc.revistaPhysical chemistry chemical physics
dc.rightsacceso restringido
dc.titleCan graphene improve the thermal conductivity of copper nanofluids?
dc.typeartículo
dc.volumen25
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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