Master equation study of hydrogen relaxation using complete sets of state-to-state transition rates

作者: Jaegang Kim , Iain Boyd

DOI: 10.2514/6.2012-362

关键词:

摘要: The complete sets of state-to-state transition rate coefficients for both target and projectile molecules are derived from the predicted response surface designed by ordinary Kriging model. A system master equations is constructed bound-bound bound-free transitions with these coefficients, rovibrational number densities numerically evaluated implicitly integrating a equations. In equation studies, relaxation rotation vibration modes, density relaxation, reaction average rotational vibrational energy losses due to dissociation each considered in strong nonequilibrium conditions. coupled one-dimensional flow analyze relaxations H 2 post-normal shock nozzle expanding flows. flows, mode slightly faster or almost similar mode. modes seem be frozen. Nomenclature area, cm c molecule i D state i, erg e r , v averaged energies, respectively, ( ) energies � losses, tr E relative translational energy, h enthalpy, erg/g f formation erg/mol ij m g l ijm parameter prohibit multiple count statistical multiplicity electronic s nuclear spin degeneracy

参考文章(29)
A. I. Boothroyd, P. G. Martin, W. J. Keogh, M. J. Peterson, An accurate analytic H4 potential energy surface The Journal of Chemical Physics. ,vol. 116, pp. 666- 689 ,(2002) , 10.1063/1.1405008
Georges Jolicard, Vladimir A. Zenevich, Gert D. Billing, VIBRATIONAL-ROTATIONAL ENERGY TRANSFER IN H2-H2 COLLISIONS. II. THE RELATIVE ROLES OF THE INITIAL ROTATIONAL EXCITATION OF BOTH DIATOMS Chemical Physics Letters. ,vol. 312, pp. 530- 535 ,(1999) , 10.1016/S0009-2614(99)00975-6
Marie-Martine Audibert, Ramon Vilaseca, Jacques Lukasik, Jacques Ducuing, Vibrational relaxation of ortho and para-H2 in the range 400-50 K Chemical Physics Letters. ,vol. 31, pp. 232- 236 ,(1975) , 10.1016/0009-2614(75)85009-3
M. E. Mandy, P. G. Martin, W. J. Keogh, Why quasiclassical cross sections can be rotationally and vibrationally hot Journal of Chemical Physics. ,vol. 100, pp. 2671- 2676 ,(1994) , 10.1063/1.466461
N. Cohen, K. R. Westberg, Chemical Kinetic Data Sheets for High‐Temperature Chemical Reactions Journal of Physical and Chemical Reference Data. ,vol. 12, pp. 531- 590 ,(1983) , 10.1063/1.555692
D.T. Pham, G. Jin, Genetic algorithm using gradient-like reproduction operator Electronics Letters. ,vol. 31, pp. 1558- 1559 ,(1995) , 10.1049/EL:19951092
M. E. Mandy, S. K. Pogrebnya, Inelastic collisions of molecular hydrogen: a comparison of results from quantum and classical mechanics. Journal of Chemical Physics. ,vol. 120, pp. 5585- 5591 ,(2004) , 10.1063/1.1649722