An algorithmic method for reactor network synthesis

Abstract: "Given a kinetic mechanism and expressions for the reaction rate, one is frequently concerned with appropriate choices for mixing patterns and heat addition/removal for reactor design. This study presents a novel nonlinear programming (NLP) formulation for optimally generating this reactor network. Building on earlier ideas for adjoint networks, we also include networks with ideal and nonideal reactors as well as complex mixing patterns. In addition, by controlling heat addition/removal in the network, this work also extends to nonisothermal reactors.Model and adjoint equations of this formulation form a two-point boundary value problem that interfaces with an efficient optimization strategy. Decisions representing network structure, reactor type and the amount of heat addition are made through continuous parameters in the model. The method is therefore fairly general and can be applied to large kinetic mechanisms with almost any objective function. Literature examples are presented and solved in order to demonstrate the effectiveness of this approach."