Chemical Mechanism of Reactions

Critical ignition conditions in exothermically reacting systems for arbitrary reaction kinetics

“…With a decrease of heat removal rate (the plots 2, 2 ) the curves are located closer to each other and the dependence of critical pressure on temperature becomes weaker. From calculation, the experimental results [15] correspond to theoretical ones with good accuracy at the value αS/V ≈ 800 W m −3 K −1 . Theoretically, all the signs of TE disappear at the points A, B.…”

“…A and B are the points of degeneration. The squares indicate the results of experimental investigation [15].…”

Ab initio molecular orbital study of the strengths of the gallium-carbon bonds in methylgallanes Ga(CH3)n, n = 1-3

“…= (4,3,3,111/4,3,111/3,1,*). 8 The computed values of A H 2 9 8 for the decomposition of DMG to MMG and 'CH3, which include only single polarization functions on the Ga and C atoms, are also given in Tables 2A and 2B at a variety of computational levels. Correlation effects increase the enthalpy change for this decomposition by some 1&15 kcal/mol.…”

“…HUZSP(4)* = (4,3,3,111/ 4,3,111/3,1,*). JFULL = all orbitals active 8. [*I* indicates two d functions only on the Ga atom Ga: 9 = 0.091, 0.336.…”

Gas-dynamic equations for spatially inhomogeneous gas mixtures with internal degrees of freedom. I. General theory

“…In a number of cases this does not yield a satisfactory description of the chemical reaction kinetics. For instance it could not describe the experimentally observed transition of the mechanism of dissociation of polyatomic molecules from the monomolecular one at high pressure to the bimolecular one at low pressure [9]. Moreover, a series over parameter e for the reaction rates obtained in the framework of such approximation [6] can diverge.…”