Abstract
The modeling of complex reaction systems is necessary in the design and analysis of many chemical processes, such as fermentation, polymerization, and petroleum refining. We have designed a high level computer language, the Reaction Description Language, to easily and transparently describe generic reaction sites and the transformation of the reactants to products. The compiled reactions are submitted to a network generator, which iteratively applies the reactions to the reactants to form the complete reaction network. The Reaction Description Language, RDL, can be used to describe any type of reaction. Therefore, it is not limited to a specific type of reaction system. Here, we present a variety of reaction networks using reaction types from the alkylation of olefins. The effect of changing the reactants, reaction types, and pruning rules is examined.
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