(357e) Generic Reactor Modeling and Simulation Framework for Industrial Reactors

The paper focuses on a generalized framework for the automatic generation and solution of reactor models. The modeling framework proposed here is based on the generalized application of conservation equations which encompass a diversity of phenomena that are associated with simple and complex reactors. The modeling framework is developed in an object oriented environment with objects instantiated from the generic class definitions representing the stoichiometry, kinetics, and hydrodynamics related properties of the specific reactor instance. The generation of individual models as specific instances of the overall modeling framework is illustrated with respect to ideal reactor, varying area plug flow reactor with reversible gas-phase reaction, and an annular reactor. The mass, momentum, and energy conservation equations are solved by the solver class. The effect of variation of reactor cross-section area is incorporated into conservation equations, using the area-averaging technique. The proposed generalizing modeling framework has been found to have sufficient rigor to adequately describe complex flow and reacting phenomena encountered in process engineering.