Abstract
AbstractWhen dealing with optimal control problems to maximize the selectivity of reactions for fine chemical synthesis, representative kinetic and thermodynamic models should be available. While literature appears to be very extensive on theoretical approaches to solve the problem, examples presenting complete models of chemical transformations are scarce. This paper presents the identification of consecutive reactions carried out in a batch reactor. Material and energy balances, satisfying dynamical state evolutions in the temperature range 20‐60°C are deduced, for concentrations of acrylonitrile ranging up to 1.6 kmol·m−3. The stoichiometric network is simplified into two reactions, one reversible and one irreversible. Reaction enthalpies are measured from isothermal runs conducted in the RC1 heat‐flow calorimeter from Mettler Toledo.
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