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Prediction of absolute rate coefficients and product branching ratios for the reaction system
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40.In the course of this work it was deduced that the rate constants in Table III of Ref. 2 should be corrected such that is swapped with It is likely that this error was caused by the numbering scheme used in Fig. 15 of Ref. 2, which usually (but not always) had lower numbered intermediates going forward to higher numbered intermediates.
41.It should be noted, that the branching ratios results in Table IV–VI of Ref. 2 are only correct for the last row, for composition and that there is a substantial error in the remaining results. Upon recalculation it has been determined that (if it is not just a transcription error of the results to the tables) that the most likely source in the previous work (Ref. 2) is in the Laplace transform derived solutions (which involve complicated expressions) employed to generate the product populations at Given the partial correctness of the results, it would appear that any terms involving the initial population of are incorrect or incomplete whereas the terms involving the initial population of are substantially correct. The former terms are substantially more complex than the latter terms (to a first approximation that are small). Given the complexity of solving a 7×7 rate matrix by hand, it is possible that there might be some error in the solutions. The current calculations have been checked in terms of the rate matrix used and independent methods of solution employed [Fortran, MATHEMATICA, and the Chemical Kinetic Simulator (Ref. 31)].
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