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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 792 500 Bol Arreba, Alfredo 70 500 0000-0003-4641-4826 Aparicio Martínez, Santiago 30 500 0000-0001-9996-2426 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 TEXT Maritsa-jml_2020.pdf.txt Maritsa-jml_2020.pdf.txt Extracted text text/plain 43304 https://riubu.ubu.es/bitstream/10259/5329/5/Maritsa-jml_2020.pdf.txt b8e8e3b24db8f716a7a670fe833f3172 MD5 5 THUMBNAIL Maritsa-jml_2020.pdf.jpg Maritsa-jml_2020.pdf.jpg IM Thumbnail image/jpeg 4415 https://riubu.ubu.es/bitstream/10259/5329/4/Maritsa-jml_2020.pdf.jpg 6947de6a45c38240da3e7ac3bb6bfb89 MD5 4 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/5329/3/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 3 CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/5329/2/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 2 ORIGINAL Maritsa-jml_2020.pdf Maritsa-jml_2020.pdf application/pdf 1809489 https://riubu.ubu.es/bitstream/10259/5329/1/Maritsa-jml_2020.pdf 153f179985227b1d8c473d0de6fefc33 MD5 1 10259/5329 oai:riubu.ubu.es:10259/5329 2024-05-15 10:16:20.557 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es RWwgYXV0b3IgY29tbyDDum5pY28gdGl0dWxhciBkZSBsb3MgZGVyZWNob3MgZGUgcHJvcGllZGFkIGludGVsZWN0dWFsIGRlIGxhIG9icmEsIG8gZGlzcG9uaWVuZG8gZGUgbG9zIGRlYmlkb3MgcGVybWlzb3MgZGUgbG9zIG90cm9zIHRpdHVsYXJlcywgc2kgbG9zIGh1YmllcmEsIHkgZW4gdmlydHVkIGRlIGxvcyBkZXJlY2hvcyBxdWUgbGUgY29uZmllcmUgbGEgbGVnaXNsYWNpw7NuIHZpZ2VudGUgc29icmUgcHJvcGllZGFkIGludGVsZWN0dWFsIHkgZGVyZWNob3MgZGUgYXV0b3IsIA0KQVVUT1JJWkEgYSBsYSBVbml2ZXJzaWRhZCBkZSBCdXJnb3MgYSBkaWZ1bmRpciwgZGUgbWFuZXJhIGdyYXR1aXRhLCBlbCBjb250ZW5pZG8gZGUgbG9zIGFyY2hpdm9zIGRpZ2l0YWxlcyBxdWUgY29ycmVzcG9uZGVuIGFsIGRvY3VtZW50byBkZXNjcml0byBhbnRlcmlvcm1lbnRlLCBjb24gY2Fyw6FjdGVyIG5vIGV4Y2x1c2l2byB5IGRlIG1hbmVyYSBww7pibGljYSBlbiBhY2Nlc28gYWJpZXJ0byBhIHRyYXbDqXMgZGUgSW50ZXJuZXQsIHBhcmEgbG8gcXVlIGxhIEJpYmxpb3RlY2EgcHJvY2VkZXLDoSBhIGFyY2hpdmFybG9zIGVuIGVsIFJlcG9zaXRvcmlvIEluc3RpdHVjaW9uYWwuIEFzaW1pc21vIGF1dG9yaXphIGEgbGEgVW5pdmVyc2lkYWQgZGUgQnVyZ29zIGEgcmVhbGl6YXIgbGFzIHRyYW5zZm9ybWFjaW9uZXMgbmVjZXNhcmlhcyBkZSBmb3JtYXRvLCBubyBkZSBjb250ZW5pZG8sIHBhcmEgZ2FyYW50aXphciBsYSBwcmVzZXJ2YWNpw7NuIHkgZWwgYWNjZXNvIGVuIGVsIGZ1dHVyby4NCg0KRWwgYXV0b3IgZGlzcG9uZSwgZW4gdG9kbyBjYXNvLCBkZWwgZGVyZWNobyBhIHJldm9jYXIgZXN0YSBhdXRvcml6YWNpw7NuLg0KDQpMYSBjZXNpw7NuIGRlIGRlcmVjaG9zIGRlIGVzdGEgb2JyYSBzZSBlbmN1ZW50cmEgc3VqZXRhIGEgbGEgbGVnaXNsYWNpw7NuIHZpZ2VudGUgc29icmUgcHJvcGllZGFkIGludGVsZWN0dWFsIHkgZGVyZWNob3MgZGUgYXV0b3I=