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  • 1
    Digitale Medien
    Digitale Medien
    Nonequilibrium statistical thermodynamics: Nonequilibrium grand ensemble method for sheared dilute gases (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 10169-10179 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The nonequilibrium grand ensemble method previously reported is rigorously implemented for a nonequilibrium dilute gas mixture sheared in plane Couette flow geometry and analytic results are presented for the nonequilibrium thermodynamic quantities of the sheared gas. The calortropy is shown to contain all the constitutive information of the system. The notions of temperature and pressure for the nonequilibrium gas are examined on the basis of the calortropy calculated from the nonequilibrium grand partition function. The shear rate dependence of the nonlinear shear and first normal stress coefficients is calculated numerically and also by means of an iterative method. The first iterative solutions are found to give a qualitatively correct behavior for all Peclet numbers. © 1998 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.477710
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  • 2
    Digitale Medien
    Digitale Medien
    Monte Carlo method and the nonequilibrium structure and non-Newtonian viscosity of a sheared simple liquid (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 97-108 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The Monte Carlo method is applied to study the nonequilibrium steady-state structure and non-Newtonian viscosity of a sheared simple liquid. The simulation is performed in-plane Couette flow geometry on the basis of the nonequilibrium statistical mechanical formalism provided by the nonequilibrium ensemble method. The results are compared with those by the nonequilibrium molecular-dynamics simulation results and also those by the integral equation method. The present Monte Carlo method is comparable in accuracy with the molecular-dynamics simulation method for the quantities compared. © 1999 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.478087
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  • 3
    Digitale Medien
    Digitale Medien
    Integral equation theory of molecular liquids: Kirkwood hierarchy approach to diatomic and polyatomic liquids (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 300-313 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: A set of integral equations is derived for site-site pair correlation functions for diatomic fluids from the Kirkwood hierarchy of correlation functions. The integral equations obtained are self-consistent field equations which are generalizations of the Percus-Yevick integral equation for simple liquids. In this theory the intra- and intermolecular correlation functions are self-consistently coupled. The integral equations reduce to the integral equations in the reference site interaction model (RISM) theory of diatomic liquids if an approximation is made to the direct correlation functions and the molecule is assumed to be rigid. The theory is also generalized to polyatomic fluids. The predictions of the theory are compared with those by the RISM theory and Monte Carlo simulations available in the literature. The computational requirement for the integral equations of the present theory is comparable to that of the RISM theory, but its predictions are more accurate than those by RISM theory at low densities and are practically the same as the latter at high densities. © 1996 American Institute of Physics.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.470901
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