ListarGI-Mesturas - Artigos por tema "Structure"

Mostrando ítems 1-3 de 3

    • Mixtures of Ethylammonium Nitrate and Ethylene Carbonate: Bulk and Interfacial Analysis 

      Lois-Cuns, Raúl; Otero-Lema, Martín; Rivera-Pousa, Alejandro; Vallet Moreno, Pablo; Parajó, Juan José; Cabeza, Óscar; Montes-Campos, Hadrián; Méndez-Morales, Trinidad; Varela, Luis M. (Elsevier, 2023-06-22)
      [Abstract] The structure and dynamics of binary mixtures of a protic ionic liquid (ethylammonium nitrate) and ethylene carbonate are studied by means of atomistic molecular dynamics simulations and experimental measurements ...

    • Structure, Dynamics and Conductivities of Ionic Liquid-Alcohol Mixtures 

      Otero-Mato, José M.; Montes Campos, Hadrián; Gómez-González, Víctor; Montoto, Martín; Cabeza, Óscar; Kondrat, Svyatoslav; Varela, Luis M. (Elsevier, 2022-03-19)
      [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 ...

    • Structure, Dynamics and Ionic Conductivities of Ternary Ionic Liquid/Lithium Salt/DMSO Mixtures 

      Martínez-Crespo, Pablo; Otero-Lema, Martín; Cabeza, Óscar; Montes Campos, Hadrián; Varela, Luis M. (Elsevier, 2022-04-28)
      [Abstract] In this paper we report classical Molecular Dynamics and ab initio Density Functional Theory simulations of the structure and single particle dynamics of ternary mixtures of a protic (ethylammonium nitrate, EAN) ...