Universidad de Burgos RIUBU Principal Default Universidad de Burgos RIUBU Principal Default
  • español
  • English
  • français
  • Deutsch
  • português (Brasil)
  • italiano
Universidad de Burgos RIUBU Principal Default
  • Ayuda
  • Entre em contato
  • Deixe sua opinião
  • Acceso abierto
    • Archivar en RIUBU
    • Acuerdos editoriales para la publicación en acceso abierto
    • Controla tus derechos, facilita el acceso abierto
    • Sobre el acceso abierto y la UBU
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Navegar

    Todo o repositórioComunidades e ColeçõesPor data do documentoAutoresTítulosAssuntosEsta coleçãoPor data do documentoAutoresTítulosAssuntos

    Minha conta

    EntrarCadastro

    Estatísticas

    Ver as estatísticas de uso

    Compartir

    Ver item 
    •   Página inicial
    • E-Prints
    • Untitled
    • Untitled
    • Artículos AdF
    • Ver item
    •   Página inicial
    • E-Prints
    • Untitled
    • Untitled
    • Artículos AdF
    • Ver item

    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/4860

    Título
    On the volumetric properties of 2-hydroxy ethylammonium formate ionic liquid under high-pressures: Measurement and molecular dynamics
    Autor
    Hosseini, S. M.
    Aparicio Martínez, SantiagoAutoridad UBU Orcid
    Alavianmehr, M. M.
    Khalifeh, R.
    Publicado en
    Journal of Molecular Liquids. 2018, V. 266, p. 751-761
    Editorial
    Elsevier
    Fecha de publicación
    2018-09
    ISSN
    0167-7322
    DOI
    10.1016/j.molliq.2018.06.074
    Resumo
    This work aims to report not only the new measurement for densities of 2-hydroxy ethylammonium formate (2-HEAF) ionic liquid under high-pressures but also molecular dynamics considerations of nanoscopic characterization for physicochemical properties in the pressure range studied. High-pressure densities of 2-HEAF showed smooth trends with temperature and pressure variations. Measurements were carried out at temperatures T = (298.15 to 333.15) K and at pressures P = (0.1 to 40) MPa. The high-pressure densities of 2-HEAF have also been correlated by the use of Tait equation with AARD equal to 0.031% and the mechanical coefficients including the isothermal compressibility, isobaric expansivity and thermal pressure were estimated. Molecular dynamics simulations were carried out in the same pressure – temperature range as the experimental study. Force field was validated against experimental results and the microscopic structure was analyzed in terms of intermolecular interactions and their evolution with temperature and pressure.
    Materia
    Química física
    Chemistry, Physical and theoretical
    URI
    http://hdl.handle.net/10259/4860
    Versión del editor
    https://doi.org/10.1016/j.molliq.2018.06.074
    Aparece en las colecciones
    • Artículos AdF
    Attribution-NonCommercial-NoDerivatives 4.0 International
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    Arquivos deste item
    Nombre:
    Hosseini-JML_2018.pdf
    Tamaño:
    1.343Mb
    Formato:
    Adobe PDF
    Thumbnail
    Visualizar/Abrir

    Métricas

    Citas

    Academic Search
    Ver estadísticas de uso

    Exportar

    RISMendeleyRefworksZotero
    • edm
    • marc
    • xoai
    • qdc
    • ore
    • ese
    • dim
    • uketd_dc
    • oai_dc
    • etdms
    • rdf
    • mods
    • mets
    • didl
    • premis
    Mostrar registro completo