ListarMesturas por tema "Molecular dynamics simulations"
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Mixtures of Ethylammonium Nitrate and Ethylene Carbonate: Bulk and Interfacial Analysis
(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 Ionic Conductivities of Ternary Ionic Liquid/Lithium Salt/DMSO Mixtures
(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) ...