Introduction to Modeling of Chemical Reactions

In the following, a solution generated by the discrete Markov chains is presented graphically for a large number of chemical reactions of various types. The solution demonstrates the transient response Cj-nAt and emphasizes some characteristic behavior of the reaction. The solution is based on the transition probability matrix P obtained on the basis of the reaction kinetics by applying 

(3-8) to (3-10a) for computing the probabilities pjj and pjk- It should be emphasized that the rate equations for the kinetics were tested to satisfy Eq.(3-3). 

In order to obtain the transient response, Eq.(3-20) is applied where the initial state vector S(0) is given by Eq.(3-19a). In each case, the magnitude of S(0) are the quantities on the Ci axis of the response curve corresponding to t = 0. An important parameter in the computations is the magnitude of the interval At. This parameter has been chosen recalling that pjj and pjk should satisfy 0 Pjj and Pjk 1 on the one hand, and that Cj versus nAt should remain 

5) Parallel reactions single and consecutive-irreversible reaction steps. 

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