2026-04-28T08:15:25Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/47582024-06-13T08:06:57Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330

Gutiérrez Vega, Alberto 271 500 0000-0003-2000-7413 Atilhan, Mert 51023856-6e72-4667-b27a-fe52e5115d61 600 Alcalde García, Rafael T. 14 500 0000-0002-5611-220X Trenzado, José Luis a166b4b5-ac85-42a7-b12b-668e3124c476 600 Aparicio Martínez, Santiago 30 500 0000-0001-9996-2426 2018-03-20T11:33:40Z 2018-04 2020-04 0167-7322 http://hdl.handle.net/10259/4758 10.1016/j.molliq.2018.01.167 The properties of ionic liquid (1-ethyl-3-methylimidazolium BF4 and 1-butyl-3-methylimidazolium BF4) + solvents (water, ethylene glycol or dimethylformamide) mixtures are studied in the full composition range as a function of mixture composition and temperature. These mixed fluids are characterized by selected physical properties and microscopic studies using density functional theory and molecular dynamics simulations. The reported results showed large non-ideal mixtures, which are caused by strong anion (BF4) – molecular solvent hydrogen bonding. Likewise, the interaction of ions, evolves from anion-cation pairs solvated by molecular solvents, for mixtures rich in molecular solvent, to large ionic aggregates for ionic liquid rich mixtures separated by a transitional composition regime. The large non-linearity of the evolution of microscopic properties with mixture composition is the origin of macroscopic thermodynamic deviations from ideality. Junta de Castilla y León (Spain, project BU324U14) application/pdf eng Elsevier Journal of Molecular Liquids. 2018, V. 255, p. 199-207 https://doi.org/10.1016/j.molliq.2018.01.167 info:eu-repo/grantAgreement/JCyL/BU324U14 Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-nd/4.0/ Ionic liquid mixtures Molecular solvents Water Hydrogen bonding Simulation Chemistry, Physical and theoretical Química física Insights on the mixtures of imidazolium based ionic liquids with molecular solvents info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 805 https://riubu.ubu.es/bitstream/10259/4758/8/license_rdf 4460e5956bc1d1639be9ae6146a50347 MD5 8 THUMBNAIL Gutierrez-JML_2018.pdf.jpg Gutierrez-JML_2018.pdf.jpg IM Thumbnail image/jpeg 4378 https://riubu.ubu.es/bitstream/10259/4758/7/Gutierrez-JML_2018.pdf.jpg 2f56226ce5e2a5159b5e2a95a6c72b9c MD5 7 ORIGINAL Gutierrez-JML_2018.pdf Gutierrez-JML_2018.pdf application/pdf 1425347 https://riubu.ubu.es/bitstream/10259/4758/1/Gutierrez-JML_2018.pdf a96162a864f04291aa351d9bd6b52a89 MD5 1 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/4758/5/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 5 TEXT Gutierrez-JML_2018.pdf.txt Gutierrez-JML_2018.pdf.txt Extracted text text/plain 51960 https://riubu.ubu.es/bitstream/10259/4758/6/Gutierrez-JML_2018.pdf.txt dffa4ec4c459b2fa6a1d4c285fc1bf03 MD5 6 10259/4758 oai:riubu.ubu.es:10259/4758 2024-06-13 10:06:57.036 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es RWwgYXV0b3IgY29tbyDDum5pY28gdGl0dWxhciBkZSBsb3MgZGVyZWNob3MgZGUgcHJvcGllZGFkIGludGVsZWN0dWFsIGRlIGxhIG9icmEsIG8gZGlzcG9uaWVuZG8gZGUgbG9zIGRlYmlkb3MgcGVybWlzb3MgZGUgbG9zIG90cm9zIHRpdHVsYXJlcywgc2kgbG9zIGh1YmllcmEsIHkgZW4gdmlydHVkIGRlIGxvcyBkZXJlY2hvcyBxdWUgbGUgY29uZmllcmUgbGEgbGVnaXNsYWNpw7NuIHZpZ2VudGUgc29icmUgcHJvcGllZGFkIGludGVsZWN0dWFsIHkgZGVyZWNob3MgZGUgYXV0b3IsIA0KQVVUT1JJWkEgYSBsYSBVbml2ZXJzaWRhZCBkZSBCdXJnb3MgYSBkaWZ1bmRpciwgZGUgbWFuZXJhIGdyYXR1aXRhLCBlbCBjb250ZW5pZG8gZGUgbG9zIGFyY2hpdm9zIGRpZ2l0YWxlcyBxdWUgY29ycmVzcG9uZGVuIGFsIGRvY3VtZW50byBkZXNjcml0byBhbnRlcmlvcm1lbnRlLCBjb24gY2Fyw6FjdGVyIG5vIGV4Y2x1c2l2byB5IGRlIG1hbmVyYSBww7pibGljYSBlbiBhY2Nlc28gYWJpZXJ0byBhIHRyYXbDqXMgZGUgSW50ZXJuZXQsIHBhcmEgbG8gcXVlIGxhIEJpYmxpb3RlY2EgcHJvY2VkZXLDoSBhIGFyY2hpdmFybG9zIGVuIGVsIFJlcG9zaXRvcmlvIEluc3RpdHVjaW9uYWwuIEFzaW1pc21vIGF1dG9yaXphIGEgbGEgVW5pdmVyc2lkYWQgZGUgQnVyZ29zIGEgcmVhbGl6YXIgbGFzIHRyYW5zZm9ybWFjaW9uZXMgbmVjZXNhcmlhcyBkZSBmb3JtYXRvLCBubyBkZSBjb250ZW5pZG8sIHBhcmEgZ2FyYW50aXphciBsYSBwcmVzZXJ2YWNpw7NuIHkgZWwgYWNjZXNvIGVuIGVsIGZ1dHVyby4NCg0KRWwgYXV0b3IgZGlzcG9uZSwgZW4gdG9kbyBjYXNvLCBkZWwgZGVyZWNobyBhIHJldm9jYXIgZXN0YSBhdXRvcml6YWNpw7NuLg0KDQpMYSBjZXNpw7NuIGRlIGRlcmVjaG9zIGRlIGVzdGEgb2JyYSBzZSBlbmN1ZW50cmEgc3VqZXRhIGEgbGEgbGVnaXNsYWNpw7NuIHZpZ2VudGUgc29icmUgcHJvcGllZGFkIGludGVsZWN0dWFsIHkgZGVyZWNob3MgZGUgYXV0b3I=