Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Kazuyasu Ibuki"'
Autor:
Kazuyasu Ibuki, Philippe A. Bopp
Publikováno v:
Journal of Molecular Liquids. 147:56-63
We revisit this often studied system and focus particularly on a consistent treatment of the solutions from the lowest to the highest concentrations. All systems are simulated with the same interaction model under identical conditions at room tempera
Publikováno v:
Journal of Molecular Liquids. 147:30-36
Molecular dynamics simulations were performed for model partially diffusion-controlled reactions between mono- and diatomic molecules at liquid density with energetical and geometrical restrictions on the reactivity. Since the reorientational motion
Publikováno v:
The Journal of Physical Chemistry B. 112:9830-9840
The self-diffusion coefficients (D) of the cation and anion in the ionic liquids 1-hexyl-3-methylimidazolium and 1-octyl-3-methylimidazolium hexafluorophosphates ([HMIM]PF6 and [OMIM]PF6) and 1-butyl-3-methylimidazolium and 1-octyl-3-methylimidazoliu
Publikováno v:
The Journal of Physical Chemistry B. 111:2062-2069
The self-diffusion coefficients (D) of the cation and anion in the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM]PF6) have been determined together with the electrical conductivity (kappa) under high pressure. All three quantiti
Publikováno v:
Journal of Molecular Liquids. 119:67-75
The NMR and viscosity B coefficients for tetraalkylsilanes ( R 4 Si, R =Me and Et) and tetraalkyltins ( R 4 Sn, R =Pr, Bu, and Pen) were measured in benzene, cyclohexane, and chloroform at various temperatures under atmospheric pressure. Both of the
Publikováno v:
Journal of Molecular Liquids. :129-144
The validity of the Hubbard-Onsager (HO) continuum dielectric friction theory for the limiting ionic conductance is examined by its application to LiCl, NaCl, and KCl in sub- and supercritical water. At medium and higher densities (above 1.4 ϱ c = 0
Autor:
Kazuyasu Ibuki, Masakatsu Ueno
Publikováno v:
Journal of Molecular Liquids. 90:271-278
We test the extended Harris (EXH) theory for the dynamics of diffusion-controlled reactions using the molecular dynamics simulations in Lennard-Jones fluids. The EXH theory is based on the Fokker-Planck-Kramers equation in which the inertia effect on
Publikováno v:
The Journal of Physical Chemistry B. 104:5139-5150
The factors controlling the concentration dependence of the electrolyte conductance in supercritical water (SCW) have been analyzed to establish a reliable method to obtain the limiting conductance Λo and the association constant KA from a set of co
Autor:
Kazuyasu Ibuki, Masakatsu Ueno
Publikováno v:
Journal of Molecular Liquids. :385-388
The rotational friction coefficient of a spherical molecule in solution is calculated applying the Navier-Stokes equation for a continuum solvent with a position-dependent viscosity as a model of “microscopic viscosity”. The rotational friction c