CONSTRUCTION OF COMPLEX-REACTION SYSTEMS - III - AN EXAMPLE - ALKYLATION OF OLEFINS

The modeling of complex reaction systems is necessary in the design an d analysis of many chemical processes, such as fermentation, polymeriz ation, and petroleum refining. We have designed a high level computer language, the Reaction Description Language, to easily and transparent ly describe generic reaction sites and the transformation of the react ants to products. The compiled reactions are submitted to a network ge nerator, which iteratively applies the reactions to the reactants to f orm the complete reaction network. The Reaction Description Language, RDL, can be used to describe any type of reaction. Therefore, it is no t limited to a specific type of reaction system. Here, we present a va riety of reaction networks using reaction types from the alkylation of olefins. The effect of changing the reactants, reaction types, and pr uning rules is examined. (C) 1997 Elsevier Science Ltd.