Abstract:
Dependencies of rate constants on temperature have been derived from the laws of quantum mechanics.
Chemical reference data have been found not to satisfy these laws. A way of adjusting the
data has been proposed and hydrogen combustion constants have been adjusted as an example.
A special numerical method for chemical kinetics problems has been proposed. It is an explicit
algorithm that considerably excels methods known in simplicity, precision, effectiveness and reliability.
Keywords:
chemical kinetics, rate constants, hydrogen combustion, numerical method.
Citation:
A. A. Belov, N. N. Kalitkin, L. V. Kuzmina, “Chemical kinetics simulation in gases”, Mat. Model., 28:8 (2016), 46–64; Math. Models Comput. Simul., 9:1 (2017), 24–39
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