Multi-Scale Modeling of Structured Catalytic Reactors

Dear Colleagues,

Computer-aided optimization has a promising future in the chemical processes industry, especially in the design of process units. Chemical reactors are the crucial common element in any process that involves conversion. A traditional approach for reactor design is to use a combined approach consisting of a set of fundamental design equations with experimental data. That strategy is convenient because experiments are often expensive and challenging, while fundamental equations used on their own may result in badly sized units under many circumstances. An interesting alternative is the use of advanced computational models. Such models consider the underlying transport processes in significantly greater detail than the simplified ideal reactor models. The accuracy of the results relies on the quality of the model considered. In recent decades, the computational power available for scientific and industrial research has increased significantly, with a simultaneous decrease in the cost of the core-hour. This favorable scenario allowed many research groups to use highly sophisticated computational models to improve our understanding and design of chemical reactors and processes in general. Despite the many advances in the topic over the last decades, there are still many challenges to address to make industrial processes more economically and environmentally attractive. This Special Issue invites significant contributions of multiscale modeling of catalytic reactors, computational models of catalytic substrates, and, especially, in environmental applications. It is hoped that the results published in this Special Issue will contribute to the faster development of the field.

Dr. Iván Cornejo García
Prof. Dr. Robert E. Hayes
Guest Editors

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