Journal ArticleDOI
Rotational energy relaxation in molecular hydrogen
Herschel Rabitz,S. H. Lam +1 more
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TLDR
Theoretical studies of rotational relaxation in para-hydrogen are presented in this paper, where rotational energy relaxation rates extracted from these calculations are compared with available experimental data and are shown to be in good qualitative agreement.Abstract:
Theoretical studies of rotational relaxation in para‐hydrogen are presented. By using a set of theoretically deduced state‐to‐state rotational rate constants the master kinetic equations and the relevant fluid mechanical equations are solved numerically. Calculations are performed over the range 100⩽T⩽1100 °K to simulate conditions for free jet expansion, shock tube, and sound absorption experiments. The over‐all rotational energy relaxation rates extracted from these calculations are compared with available experimental data and are shown to be in good qualitative agreement. The magnitudes and the temperature dependence of these rates depend critically on the degree and direction of the initial departure from equilibrium as well as the multilevel nature of the relaxation process. The apparent discrepancies in the measured rates from the different experiments are shown to be qualitatively self‐consistent in light of the present calculations.read more
Citations
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Journal ArticleDOI
Theoretical studies of H2–H2 collisions. I. Elastic scattering of ground state para‐ and ortho‐H2 in the rigid rotor approximation
Joachim Schaefer,Wilfried Meyer +1 more
TL;DR: In this article, it is shown that the isotropic part of the potential, determined by the consistent ab initio potentials of five geometries, provides a very accurate (1%−2%) agreement with measured p−H2/p−H 2 integral cross sections in the range of 900 −2300 m/sec relative velocity.
Book ChapterDOI
Scattering Studies of Rotational and Vibrational Excitation of Molecules
Manfred Faubel,J. Peter Toennies +1 more
TL;DR: In this paper, the authors discuss the scattering studies of rotational and vibrational excitation of molecules and propose a method to invert inelastic cross sections to obtain quantitatively precise potential hypersurfaces.
Journal ArticleDOI
State resolved rotational relaxation of CO in the free jet expansion of He–CO mixtures
TL;DR: In this article, an infrared molecular beam spectrometer was used to study the rotational relaxation of CO molecules in the free jet expansion of pure CO and a 90% He-10% CO mixture.
Journal ArticleDOI
Rotational relaxation in supersonic beams of hydrogen by high resolution photoelectron spectroscopy
TL;DR: In this article, the rotational relaxation of n−H2, p•H2 and n−D2 in a free jet expansion was studied by means of rotationally resolved photoelectron spectroscopy using a collimated supersonic molecular beam.
Journal ArticleDOI
Rotational and electronic relaxation in pulsed supersonic beams of NO seeded in He and Ar
TL;DR: In this article, the rotational and electronic relaxation in pulsed supersonic expansions of nitric oxide seeded in helium and argon were measured up to high quantum numbers J″>24.5.
References
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Journal ArticleDOI
Elements of gasdynamics
TL;DR: Elements of gasdynamics, Elements of gas dynamics, this paper, elements of gas dynamics, elements of gases, gas dynamism, and elements of dynamism.
Journal ArticleDOI
The automatic integration of ordinary differential equations
TL;DR: An integration technique for the automatic solution of an initial value problem for a set of ordinary differential equations and a criterion for the selection of the order of approximation are proposed.
Journal ArticleDOI
Quantum‐Mechanical Modified Boltzmann Equation for Degenerate Internal States
TL;DR: In this paper, a modified quantum-mechanical Boltzmann equation was derived for the general case in which the molecules have degenerate internal states, and the collisions were described in terms of combinations of the Lippmann-Schwinger scattering matrix rather than the collision cross section.
Journal ArticleDOI
Vibrational and Rotational Relaxation
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Effective potential formulation of molecule‐molecule collisions with application to H2–H2
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