Process Optimization of Reactive Systems Modeled by Elementary Reactions
نویسندگان
چکیده
A modern approach to model chemically reactive systems is to use a set of elementary reactions relating all chemical species which are involved in the chemical system. This detailed modeling leads to rather large systems of differentialalgebraic equations to be treated numerically. This paper presents a new algorithm based on partially reduced SQP methods for the computation of optimal controls for reactive processes taking into account the specific problem structures at hand. In an exemplary manner we study the formation of ketene from acetic acid. Numerical results for this new and practically important application problem are presented.
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