Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces

Detalhes bibliográficos
Autor(a) principal: Donato, Mariana T.
Data de Publicação: 2024
Outros Autores: Colaço, Rogério, Branco, Luís C., Saramago, Benilde, Canongia Lopes, José N., Shimizu, Karina, de Freitas, Adilson Alves
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/167731
Resumo: The authors thank the financial support from Fundação para a Ciência e Tecnologia, FCT/MCTES (Portugal) through the projects UIDB/00100/2020, UIDP/00100/2020, LAETA, UIDB/50022/2020, UID/QUI/50006/2019 (Associate Laboratory for Green Chemistry-LAQV-REQUIMTE), PTDC/QUI-QFI/29527/2017, and IMS-LA/P/0056/2020, through CEEC contracts (IST-ID/100/2018 to K.S. and IST-ID/93/2018 to A.A.F.) and the PhD grant SFRH/BD/140079/2018 from M.T.D. Publisher Copyright: © 2024 The Authors. Published by American Chemical Society
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spelling Molecular Interactions between Ionic Liquid Lubricants and Silica SurfacesAn MD Simulation StudyPhysical and Theoretical ChemistrySurfaces, Coatings and FilmsMaterials ChemistryThe authors thank the financial support from Fundação para a Ciência e Tecnologia, FCT/MCTES (Portugal) through the projects UIDB/00100/2020, UIDP/00100/2020, LAETA, UIDB/50022/2020, UID/QUI/50006/2019 (Associate Laboratory for Green Chemistry-LAQV-REQUIMTE), PTDC/QUI-QFI/29527/2017, and IMS-LA/P/0056/2020, through CEEC contracts (IST-ID/100/2018 to K.S. and IST-ID/93/2018 to A.A.F.) and the PhD grant SFRH/BD/140079/2018 from M.T.D. Publisher Copyright: © 2024 The Authors. Published by American Chemical SocietyThe unique physicochemical properties of ionic liquids (ILs) attracted interest in their application as lubricants of micro/nano-electromechanical systems. This work evaluates the feasibility of using the protic ionic liquids [4-picH][HSO4], [4-picH][CH3SO3], [MIMH][HSO4], and [MIMH][CH3SO3] and the aprotic ILs [C6mim][HSO4] and [C6mim][CH3SO3] as additives to model lubricant poly(ethylene glycol) (PEG200) to lubricate silicon surfaces. Additives based on the cation [4-picH]+ exhibited the best tribological performance, with the optimal value for 2% [4-picH][HSO4] in PEG200 (w/w). Molecular dynamics (MD) simulations of the first stages of adsorption of the ILs at the glass surface were performed to portray the molecular behavior of the ILs added to PEG200 and their interaction with the silica substrate. For the pure ILs at the solid substrates, the MD results indicated that weak specific interactions of the cation with the glass interface are lost to accommodate the larger anion in the first contact layer. For the PEG200 + 2% [4-picH][HSO4] system, the formation of a more compact protective film adsorbed at the glass surface is revealed by a larger trans population of the dihedral angle -O(R)-C-C-O(R)- in PEG200, in comparison to the same distribution for the pure model lubricant. Our findings suggest that the enhanced lubrication performance of PEG200 with [4-picH][HSO4] arises from synergistic interactions between the protic IL and PEG200 at the adsorbed layer.DQ - Departamento de QuímicaLAQV@REQUIMTERUNDonato, Mariana T.Colaço, RogérioBranco, Luís C.Saramago, BenildeCanongia Lopes, José N.Shimizu, Karinade Freitas, Adilson Alves2024-05-24T00:18:34Z2024-03-142024-03-14T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10application/pdfhttp://hdl.handle.net/10362/167731eng1520-6106PURE: 85911815https://doi.org/10.1021/acs.jpcb.3c08397info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-09-09T01:38:41Zoai:run.unl.pt:10362/167731Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-09-09T01:38:41Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
An MD Simulation Study
title Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
spellingShingle Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
Donato, Mariana T.
Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry
title_short Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
title_full Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
title_fullStr Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
title_full_unstemmed Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
title_sort Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces
author Donato, Mariana T.
author_facet Donato, Mariana T.
Colaço, Rogério
Branco, Luís C.
Saramago, Benilde
Canongia Lopes, José N.
Shimizu, Karina
de Freitas, Adilson Alves
author_role author
author2 Colaço, Rogério
Branco, Luís C.
Saramago, Benilde
Canongia Lopes, José N.
Shimizu, Karina
de Freitas, Adilson Alves
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv DQ - Departamento de Química
LAQV@REQUIMTE
RUN
dc.contributor.author.fl_str_mv Donato, Mariana T.
Colaço, Rogério
Branco, Luís C.
Saramago, Benilde
Canongia Lopes, José N.
Shimizu, Karina
de Freitas, Adilson Alves
dc.subject.por.fl_str_mv Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry
topic Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry
description The authors thank the financial support from Fundação para a Ciência e Tecnologia, FCT/MCTES (Portugal) through the projects UIDB/00100/2020, UIDP/00100/2020, LAETA, UIDB/50022/2020, UID/QUI/50006/2019 (Associate Laboratory for Green Chemistry-LAQV-REQUIMTE), PTDC/QUI-QFI/29527/2017, and IMS-LA/P/0056/2020, through CEEC contracts (IST-ID/100/2018 to K.S. and IST-ID/93/2018 to A.A.F.) and the PhD grant SFRH/BD/140079/2018 from M.T.D. Publisher Copyright: © 2024 The Authors. Published by American Chemical Society
publishDate 2024
dc.date.none.fl_str_mv 2024-05-24T00:18:34Z
2024-03-14
2024-03-14T00:00:00Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/167731
url http://hdl.handle.net/10362/167731
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 1520-6106
PURE: 85911815
https://doi.org/10.1021/acs.jpcb.3c08397
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 10
application/pdf
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv mluisa.alvim@gmail.com
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