The Goal of Chemical Kinetic Modeling

The primary goal of chemical kinetic modeling is to make predictions given our current understanding of chemistry, what do we expect to happen in a particular reacting mixture under specified reaction conditions If desired, these 

To the extent that we have confidence in the predictions of chemical kinetic models, we could then use these models to design new products, processes, and reactors to plan new experiments, to design model-based control systems and safety systems, and to inform critical business and public policy decisions. However, to develop the required level of confidence in the model predictions, the loop in Fig. 1 must be functioning effectively. 

In the present paper we focus on a few of the steps involved in the left side of the loop shown in Fig. 1  

Each of these three steps is addressed in a separate section below. 

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