Artículo
Can graphene improve the thermal conductivity of copper nanofluids?
Olguín Orellana, Gabriel José; Soldano, Germán
; Alzate Morales, Jans; Camarada, María; Mariscal, Marcelo
Fecha de publicación:
01/2023
Editorial:
Royal Society of Chemistry
Revista:
Physical Chemistry Chemical Physics
ISSN:
1463-9076
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Copper (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.
Palabras clave:
NANOFLUIDS
,
THERMAL CONDUCTIVITY
,
FITTED MORSE POTENTIALS
,
GRAPHENE FLAKES
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Articulos(INFIQC)
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Citación
Olguín Orellana, Gabriel José; Soldano, Germán; Alzate Morales, Jans; Camarada, María; Mariscal, Marcelo; Can graphene improve the thermal conductivity of copper nanofluids?; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 25; 7; 1-2023; 5489-5500
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