State-resolved thermochemical nonequilibrium analysis of hydrogen mixture flows

The complete sets of state-to-state transition rate coefficients for both target and projectile molecules of hydrogen are derived from the predicted response surface designed by the ordinary Kriging model. A system of master equations is constructed for bound-bound and bound-free transitions with these designed transition rate coefficients, and the rovibrational number densities are numerically evaluated by implicitly integrating a system of master equations. In these master equation studies, relaxation of rotation and vibration modes, number density relaxation, reaction rate coefficients, and average rotational and vibrational energy losses due to dissociation are each considered in strong nonequilibrium conditions. A system of master equations is coupled with one-dimensional flow equations to analyze the relaxations of hydrogen in post-normal shock and nozzle expanding flows. In post-normal shock flows, at high temperature, the relaxation of the rotational mode is similar to the relaxation of the vibrat...

[1]  J. Ducuing,et al.  Vibrational relaxation of H2 in the range 500–40°K , 1974 .

[2]  G. Jolicard,et al.  VIBRATIONAL-ROTATIONAL ENERGY TRANSFER IN H2-H2 COLLISIONS. II. THE RELATIVE ROLES OF THE INITIAL ROTATIONAL EXCITATION OF BOTH DIATOMS , 1999 .

[3]  Peter G. Martin,et al.  An accurate analytic H4 potential energy surface , 2002 .

[4]  Chul Park,et al.  Rotational Relaxation of N2 Behind a Strong Shock Wave , 2002 .

[5]  Oh Joon Kwon,et al.  Master Equation Study and Nonequilibrium Chemical Reactions for Hydrogen Molecule , 2010 .

[6]  Oh Joon Kwon,et al.  Master Equation Study and Nonequilibrium Chemical Reactions for H + H2 and He + H2 , 2009 .

[7]  R. Patch.  SHOCK-TUBE MEASUREMENT OF DISSOCIATION RATES OF HYDROGEN , 1962 .

[8]  S. K. Pogrebnya,et al.  Inelastic collisions of molecular hydrogen: a comparison of results from quantum and classical mechanics. , 2004, The Journal of chemical physics.

[9]  Surendra P. Sharma.  Rotational relaxation of molecular hydrogen at moderate temperatures , 1994 .

[10]  Duc Truong Pham,et al.  Genetic algorithm using gradient-like reproduction operator , 1995 .

[11]  David W. Schwenke,et al.  Calculations of rate constants for the three‐body recombination of H2 in the presence of H2 , 1988 .

[12]  Surendra P. Sharma,et al.  Nonequilibrium and equilibrium shock front radiation measurements , 1990 .

[13]  K. Westberg,et al.  Chemical Kinetic Data Sheets for High‐Temperature Chemical Reactions , 1983 .

[14]  Heshel Teitelbaum,et al.  The Vibrational Relaxation of H2. I. Experimental Measurements of the Rate of Relaxation by H2, He, Ne, Ar and Kr, , 1974 .

[15]  Takashi Abe,et al.  Experimental Investigation of Air Radiation from Behind a Strong Shock Wave , 1998 .

[16]  C. W. Eaker.  A fast Fourier transform method for quasiclassical selection of initial coordinates and momenta for rotating diatoms , 1989 .

[17]  Norman Cohen,et al.  A NEW MEASUREMENT OF THE HYDROGEN DISSOCIATION RATE , 1967 .

[18]  I. Hurle.  Measurements of hydrogen-atom recombination rates behind shock waves , 1967 .

[19]  E. Sutton.  Measurement of the Dissociation Rates of Hydrogen and Deuterium , 1962 .

[20]  W. J. Keogh,et al.  Why quasiclassical cross sections can be rotationally and vibrationally hot , 1994 .

[21]  J. Ducuing,et al.  Vibrational relaxation of ortho and para-H2 in the range 400-50 K , 1975 .

[22]  Byung Chai Lee,et al.  Reliability-based design optimization using a moment method and a kriging metamodel , 2008 .

[23]  Richard B. Bernstein,et al.  Atom - Molecule Collision Theory , 1979 .

[24]  Takashi Abe,et al.  Coupled Rotational-Vibrational Relaxation of Molecular Hydrogen at High Temperatures , 2003 .