Structure, dynamics and conductivities of ionic liquid-alcohol mixtures

Autor: José M. Otero-Mato, Hadrián Montes-Campos, Víctor Gómez-González, Martín Montoto, Oscar Cabeza, Svyatoslav Kondrat, Luis M. Varela

Publikováno v: RUC. Repositorio da Universidade da Coruña
instname
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Journal of Molecular Liquids

[Abstract] We study the microscopic structure and transport properties of ions in mixtures of 1-butyl-3-methylimidazolium and 1-butyl-3-ethylimidazolium iodide with ethanol using atomistic molecular dynamics simulations and conductivity measurements.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::65d9e81657f022b14b3efd9c2a8a48c2
https://hdl.handle.net/10347/29058

Computational study of the structure of ternary ionic liquid/salt/polymer electrolytes based on protic ionic liquids

Autor: Alejandro Rivera-Pousa, Hadrián Montes-Campos, Diddo Diddens, José M. Otero-Mato, Luis M. Varela, Oscar Cabeza, Andreas Heuer

Publikováno v: Journal of molecular liquids 333, 115883-(2021). doi:10.1016/j.molliq.2021.115883

The stability of binary mixtures of several protic ionic liquids (ethylammonium nitrate, ethylammonium acetate and ethylammonium tetrafluoroborate) with polyethylene oxide is studied by means of molecular dynamics simulations. The solubility range is

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d106ccf96cf1eebaa93a2dbfaa936d2
https://doi.org/10.1016/j.molliq.2021.115883

3D structure of the electric double layer of ionic liquid-alcohol mixtures at the electrochemical interface

Autor: Alina Ciach, Luis J. Gallego, José M. Otero-Mato, Oscar Cabeza, Diddo Diddens, Hadrián Montes-Campos, Luis M. Varela

Publikováno v: Physical chemistry chemical physics : PCCP. 20(48)

Mixtures of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate with amphiphilic cosolvents, such as methanol and ethanol, nanoconfined between graphene walls are studied by means of molecular dynamics simulations and the results are compa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a9cb747646a626cc177a192fa53c06f
https://pubmed.ncbi.nlm.nih.gov/30500015

Nanoconfined ionic liquids: A computational study

Autor: José M. Otero-Mato, Hadrián Montes-Campos, Luis M. Varela, Luis J. Gallego, Oscar Cabeza

Publikováno v: Journal of Molecular Liquids. 320:114446

In this work we study how the properties of ionic liquids change upon confinement between two walls at various nanometric distances. We also find a correlation between the dynamic properties and the structure of this system under these extremely nano

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4839f51d6f75ae2d28afc15ea6d30d60
https://doi.org/10.1016/j.molliq.2020.114446

Ionic liquids nanoconfined in zeolite-templated carbon: A computational study

Autor: Enrique Lomba, Hadrián Montes-Campos, Trinidad Méndez-Morales, José M. Otero-Mato, Oscar Cabeza, Luis M. Varela, Luis J. Gallego

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

12 pags., 17 figs., 1 tab.
Molecular dynamics simulations are reported for a protic (ethylammonium nitrate) and an aprotic (1-ethyl-3-methylimidazolium tetrafluoroborate) ionic liquid nanoconfined inside a faujasite-templated carbon. The structu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6a40dd49dfc9d73682199184a085769
https://doi.org/10.1016/j.molliq.2020.114264