Instituto de Materiais
Instituto
TRINIDAD
MENDEZ MORALES
Investigadora contratada Ramón y Cajal
Publicacións nas que colabora con TRINIDAD MENDEZ MORALES (36)
2024
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On the molecular mechanisms of H2/N2 uptake in confined ionic liquids: A computational study
Journal of Molecular Liquids, Vol. 405
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Size Matters: A Computational Study of Hydrogen Absorption in Ionic Liquids
Journal of Chemical Information and Modeling, Vol. 64, Núm. 1, pp. 164-177
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Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study
Macromolecules, Vol. 57, Núm. 9, pp. 3921-3936
2023
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Effect of Isomeric Alcohols on the Thermophysical Properties of Cyano-Based Ionic Liquids: Experimental and Simulation Studies
Journal of Chemical and Engineering Data, Vol. 68, Núm. 8, pp. 1940-1952
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Interfacial structure of protic and aprotic ionic liquid-DMSO-Li salt mixtures near charged and neutral electrodes: A Molecular Dynamics study
Journal of Molecular Liquids, Vol. 386
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Ionic liquid/metal salt mixtures at the graphene interface: A density functional theory approach
Journal of Molecular Liquids, Vol. 392
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Mixtures of ethylammonium nitrate and ethylene carbonate: Bulk and interfacial analysis
Journal of Molecular Liquids, Vol. 385
2022
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On the physical properties of mixtures of nitrate salts and protic ionic liquids
Journal of Molecular Liquids, Vol. 350
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Quantitative and structural analysis of water association in water-lithium bromide-1,3-dimethylimidazolium chloride mixtures
Journal of Molecular Liquids, Vol. 368
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Role of Anions in 5-Hydroxymethylfurfural Solvation in Ionic Liquids from Molecular Dynamics Simulations
Advanced Theory and Simulations, Vol. 5, Núm. 12
2020
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Ionic liquids nanoconfined in zeolite-templated carbon: A computational study
Journal of Molecular Liquids, Vol. 318
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The interaction of ammonia with the protic ionic liquid ethylammonium nitrate: A simulation study
Journal of Molecular Liquids, Vol. 320
2018
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The effect of alkyl chain length on the structure and thermodynamics of protic-aprotic ionic liquid mixtures: A molecular dynamics study
Physical Chemistry Chemical Physics, Vol. 20, Núm. 15, pp. 9938-9949
2017
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Molecular dynamics simulation of the structure and interfacial free energy barriers of mixtures of ionic liquids and divalent salts near a graphene wall
Physical Chemistry Chemical Physics, Vol. 19, Núm. 1, pp. 846-853
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Nanostructured solvation in mixtures of protic ionic liquids and long-chained alcohols
Journal of Chemical Physics, Vol. 146, Núm. 12
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Two-dimensional pattern formation in ionic liquids confined between graphene walls
Physical Chemistry Chemical Physics, Vol. 19, Núm. 36, pp. 24505-24512
2016
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Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts
Journal of Chemical Physics, Vol. 145, Núm. 20
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Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures
Journal of Physics Condensed Matter, Vol. 28, Núm. 46
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Molecular dynamics simulations of mixtures of protic and aprotic ionic liquids
Physical Chemistry Chemical Physics, Vol. 18, Núm. 34, pp. 23932-23943
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Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces
Physical Chemistry Chemical Physics, Vol. 18, Núm. 2, pp. 1302-1310