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oai:riubu.ubu.es:10259/53292024-05-15T08:16:20Zcom_10259.4_2527com_10259_5086com_10259_2604com_10259_4323col_10259.4_2528col_10259_4330

Maritsa, Loukia Bol Arreba, Alfredo Aparicio Martínez, Santiago 2020-06-08T11:32:52Z 2020-06-08T11:32:52Z 2020-08 0167-7322 http://hdl.handle.net/10259/5329 10.1016/j.molliq.2020.113291 The nanoscopic behaviour of dispersions of MoS2 nanotubes in hydrocarbons was studied by molecular dynamics simulations. The reported results allowed the analysis of hydrocarbons adsorption at nanotubes external wall as well as the behaviour of the confined phase of hydrocarbons inside the nanotubes internal cavity. The adsorption and confinement of hydrocarbons leads to large structural rearrangements in the vicinity of the nanotubes in comparison with bulk liquid phase, which are pivotal for the behaviour of these nanofluids as lubricant media. The large affinity of the considered hydrocarbons for the nanotubes surfaces and cavities determines the stability of the considered dispersions and it allows the application of these nanofluids for several technologies in particular for enhanced lubrication. European Union (H2020-MSCA-ITN-2016-SOLUTION-GA-721642 project). We also acknowledge SCAYLE (Supercomputación Castilla y León) application/pdf eng Elsevier Journal of Molecular Liquids. 2020, V. 311, 113291 https://doi.org/10.1016/j.molliq.2020.113291 info:eu-repo/grantAgreement/EC/H2020/721642 Attribution-NonCommercial-NoDerivatives 4.0 Internacional http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess MoS2 nanotubes Hydrocarbons Molecular dynamics Nanofluids Solvation Confinement Física Materia-Composición Physics Matter-Constitution Densification and tribofilm formation in hydrocarbon nanofluids induced by MoS2 nanotubes info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Journal of Molecular Liquids 311 113291