Linking Scales in a Chemical Reactor: From the Microscale to Global Simulation
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Abstract
This article discusses the elements, mathematical description, and computational tools used for the study and design of chemical reactors, with an emphasis on continuous stirred reactors. Five hierarchical scales are described: microscale, mesoscale, macroscale, simplified scales, and process plant. At the first three scales (fluid level), analysis is usually carried out through computational fluid dynamics, providing insights into the influence of equipment geometry, mixing distribution, heat transfer, and mechanical energy losses on fixed or moving surfaces. In contrast, for simplified scales and the process plant, chemical process simulators are employed (unit or module level), which are useful for general sizing from a process engineering standpoint. The transition between these two approaches may entail the loss of relevant information; therefore, alternatives for their integration are discussed. This comprehensive overview, conceived as a “reverse zoom,” offers an integrated vision of transport phenomena, computational simulation, and process engineering in the analysis of chemical reactors.
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References
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