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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 55 (1951), S. 774-788 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 57 (1953), S. 403-414 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 86 (1982), S. 1102-1106 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 1416-1419 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A classical Boltzmann equation which describes the time evolution of the distribution function in the phase space of a single molecule is developed for a low-density gas made up of nonreacting molecules of arbitrary structure. This development is based on the Liouville equation, the equation describing the time evolution of the distribution function in the phase space of the entire system through the Bogoliubov–Born–Green–Kirkwood–Yvon set of equations, the equations which describe the time evolution of the contracted distribution functions. The set of equations is truncated by use of the molecular chaos assumption, the assumption that the dynamical states of a pair of molecules are uncorrelated before a collision. From the general result the form of the collision integral arising from collisions between two diatomic molecules is considered as a special case. This result is then further reduced to the idealized rigid-rotor, harmonic-oscillator model. This result is then shown to be a generalization of an earlier development.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 2672-2680 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A perturbation solution of the classical Boltzmann equation of a gas of rotating molecules is presented and discussed. The use of irreducible spherical tensors then leads to equations for scalar perturbation functions. These equations lead to expressions for scalar transport coefficients in terms of elements of the inverse cross section matrix. Perturbation expressions for the cross sections developed earlier are then introduced. This leads to expressions for the effects of a magnetic field on the transport coefficients to second order in the anisotropy of the potential, with no truncation of the basis set.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 1337-1344 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: For dilute solutions of polymeric molecules, the distribution function in the configuration space of a single molecule is determined by the so-called "diffusion equation.'' In the present discussion, we transform the problem of solving this diffusion equation to that of solving a different linear differential equation involving a Hermitian operator H associated with the unperturbed system and an operator W=κ:Mˆ, which describes the effects of the velocity gradient κ°. It is shown that the eigenvalues of H are the reciprocals of the time constants associated with the decay of perturbations of the system from equilibrium. It is then shown that the stress tensor may be written simply in terms of matrix elements of an operator M and a time-development operator U with respect to the eigenfunctions of H as the bases. This development then leads to an expression for the relaxation modulus of linear viscoelasticity, which is of the form of the "generalized Maxwell model.'' A formal expression for the relaxation modulus involves an exponential operator which may easily be expanded leading to a series in powers of the time variable. This then leads to quite general expressions for the high frequency limiting values of the real and imaginary parts of the complex viscosity. These expressions are evaluated for the special case of the finitely extensible nonlinear elastic (FENE) dumbbell and the results shown to be consistent with earlier asymptotic results.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 1345-1353 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The statistical expression for the stress tensor of a polymeric system may be written as a sum of two terms—the single molecule term, which involves the distribution functions in the phase spaces of single molecules and the intermolecular term, which involves the distribution functions in the configuration spaces of pairs of molecules. The evaluation of the first of these two contributions involves the solution of the "diffusion equation'' in the configuration space of a single molecule and has been discussed extensively. Here, the solution of the analogous equation in the configuration space of a pair of molecules and the evaluation of the intermolecular term is discussed. The resulting expression involves "matrix elements'' of operators in the configuration space of the two molecule system with respect to the eigenfunctions of a Hermitian operator. In particular, an expression for the intermolecular contribution to the frequency-dependent complex viscosity is obtained. As a limiting case, a system consisting of spherical molecules is considered and numerical results are obtained for liquid argon at 89 K. It is predicted that non-Newtonian behavior would occur at frequencies of the order of 1011 s−1.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 1420-1423 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In some derivations of the Boltzmann equation, the equation which describes the time evolution of the distribution function in the phase space of the atoms of a low-density gas, it has been assumed that all of the trajectories in the phase space of the pairs of atoms are such that transforming back sufficiently far in time leads to separated atoms. In the present development, it is shown that if this is not true the "bound-state'' region of the phase space of pairs of atoms leads to an additional term in the linearized Boltzmann equation. This additional term will lead to differences in the low-density limiting values of the transport coefficients from those which have been obtained from the classic equation of Boltzmann.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 7679-7686 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In some derivations of the Boltzmann equation, the equation which describes the time evolution of the distribution function in the phase space of the atoms of a low-density gas, it has been assumed that all of the trajectories in the phase space of the pairs of atoms are such that transforming back sufficiently far in time leads to separated atoms. In a recent development, it has been shown that if this is not true the "bound-state'' trajectories lead to an addition to the collision integral which, in turn, leads to corrections to the values of the low-density transport coefficients. In the present alternate development, it is shown that the "bound-state'' trajectories may be joined to trajectories in the "unbound region'' through the introduction of a complex time and analytic continuation. With this generalization of the concept of trajectories, one may introduce the "molecular chaos assumption'' in the usual manner, and the "collision integral'' may be generalized to include the bound-state region of the phase space. This leads to "corrections'' to the low-density limiting values of the transport coefficients. These effects of the bound pairs of atoms on the low-density transport coefficients of a gas of atoms which interact according to a Lennard-Jones potential are investigated numerically. It is found that the effects become important at temperatures, scaled in the usual manner by ε/k, below about unity. Specifically, it is found that at a scaled temperature of unity, corresponding to a temperature in the range of about 100–200 K, the effect is to lower the self-diffusion coefficient by about 3.7% and the viscosity and thermal conductivity by about 0.7%. The effects become significantly greater at lower temperatures.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 81 (1959), S. 5265-5265 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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