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ListarCientífica por materia "molecular dynamics"

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  • PRESIÓN DE VAPOR DEL BROMURO (Br2) 
    Peñaloza Martinez, Dante Enrique (Universidad Autónoma del Estado de México, 2020-11-27)
    La presión de vapor del Bromuro (Br2) se calcula mediante simulaciones de dinámica molecular en un ensamble canónico para una región amplia de temperaturas. Se modela la molécula de Br2 mediante tres sitios de interacción ...
  • Surface tension of O2-Ar, N2-Ar and O2-N2-Ar mixtures 
    Garcia-Martinez, Mauricio; LOPEZ LEMUS, JORGE; IBARRA TANDI, BENJAMIN (ECORFAN Journal-Ecuador, 2019-12-13)
    The surface tension of some binary and ternary mixtures was calculated by means of molecular dynamics simulations in a canonical set. The analyzed mixtures were oxygen-argon, nitrogen-argon and oxygen-nitrogenargon. The ...
  • Thermodynamic, structural and dynamic properties of ionic liquids [C4mim][CF3COO], [C4mim][Br] in the condensed phase, using molecular simulations 
    Sánchez-Badillo, Joel; LOPEZ LEMUS, JORGE; Gallo, Marco; Guirado, Ricardo (Royal society of chemistry, 2019-05-03)
    In this work a series of thermodynamic, structural, and dynamical properties for the 1-butyl-3-methylimidazolium trifluoroacetate ([C4mim][CF3COO]) and 1-butyl-3-methylimidazolium bromide, ([C4mim][Br]) ionic liquids (ILs) ...

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