Dissociation in dilute mixtures of shock heated in O2 and HCl in Ar

Modeling the Kinetics of Bimolecular Reactions

“…This would occur for example in the dissociation of a pure diatomic gas where vibration−vibration energy transfer is important, whereas dissociation of a diatomic molecule dilute in a rare gas is an example of the linear case. Nonlinear problems have been treated theoretically only infrequently in the past, ,, but they are of some current interest. − In the following, we discuss molecules more complicated than diatomics, and a linear version of the master equation, which is adequate for the purposes discussed below.…”

“…The master equation has been formulated and solved in a number of different ways, ,− ,− and we especially note some attempts to solve the 2D master equation for some special cases. − ,− ,,,− ,, Most work has been directed toward thermal dissociation reactions, which are just a special case of the methodology described below. An exception is the work on C 2 H 5 + O 2 by Venkatesh et al., , whose methodology for determining rate coefficients is of limited applicability, because it implicitly equates a rate coefficient to a “flux coefficient.” We restrict our attention here mainly to the 1D problem, which is probably sufficiently accurate for most purposes.…”

“…The master equation has been formulated and solved in a number of different ways, 506,[788][789][790][791][792][793][794][795][796][797][798][799][800] and we especially note some attempts to solve the 2D master equation for some special cases. [750][751][752][839][840][841][842][843][844][845][846][847]851,853,[855][856][857]859,860 Most work has been directed toward thermal dissociation reactions, which are just a special case of the methodology described below.…”