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dc.contributor.author
Olguín Orellana, Gabriel José
dc.contributor.author
Soldano, Germán
dc.contributor.author
Alzate Morales, Jans
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Camarada, María
dc.contributor.author
Mariscal, Marcelo
dc.date.available
2024-02-09T14:52:28Z
dc.date.issued
2023-01
dc.identifier.citation
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
dc.identifier.issn
1463-9076
dc.identifier.uri
http://hdl.handle.net/11336/226633
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
NANOFLUIDS
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THERMAL CONDUCTIVITY
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FITTED MORSE POTENTIALS
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GRAPHENE FLAKES
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Otras Ciencias Químicas
dc.subject.classification
Ciencias Químicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Can graphene improve the thermal conductivity of copper nanofluids?
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-02-09T12:19:31Z
dc.journal.volume
25
dc.journal.number
7
dc.journal.pagination
5489-5500
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Olguín Orellana, Gabriel José. Universidad de Talca; Chile
dc.description.fil
Fil: Soldano, Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Alzate Morales, Jans. Universidad de Talca; Chile
dc.description.fil
Fil: Camarada, María. Pontificia Universidad Católica de Chile; Chile
dc.description.fil
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.journal.title
Physical Chemistry Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/D3CP00064H
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp00064h
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