A general framework for the integration of computational fluid dynamics and process simulation

Computational fluid dynamics (CFD) and process simulation are widely used in the process industry. The two technologies are largely complementary, each being able to capture and analyse some of the important process characteristics. Their combined application can, therefore, lead to significant industrial benefits. This is especially true for systems, such as chemical reactors, in which steady-state performance, dynamics and control strategy depend on mixing and fluid flow behaviour. This paper presents a new approach for the integration of the capabilities of CFD technology and process simulation via a general interface that allows the automatic exchange of critical variables between the two packages, leading to a simultaneous solution of the overall problem. The approach applies to both steady-state and dynamic problems. The feasibility of the approach and its first practical implementation are demonstrated by integrating a widely used CFD package (Fluent 4.5, by Fluent Inc.) within a general-purpose advanced process simulator (gPROMS 1.7, by Process Systems Enterprise Ltd. (1999)). One case study involving a batch reactor is used to illustrate the ability of the combined tool to provide information on the detailed interactions between fluid mechanics, heat transfer, reaction and control strategy, and to provide insights on important design and operational decisions.