Fluid dynamics characterization of stirred-tank reactors via approximate Bayesian computational (ABC) for parameter estimation and model selection

Abstract

The Approximate Bayesian Computing (ABC) was used in this work to perform the selection and calibration of models in reactor dynamics. Five phenomenologically based hydrodynamic models on dead volume, flow deviation and retro-mix anomalies were evaluated and classified into two groups. The inverse problems were solved from experimental data obtained by the technique of residence time distribution (RTD) in positive step, using the methylene blue tracer in a stirred-tank reactor. The experiments evaluated the influence of volumetric flow, effluent outlet position, agitation position and rotation on the hydrodynamic characterization of the reactor. The results revealed that the most influential parameter in the first group was the dead volume, while in the second group, the retro-mix anomaly was highly sensitive to rotation. The ABC algorithm applied in this work used the Morozov discrepancy principle to select the tolerance in the final population. Tolerances for other intermediate populations were obtained from the median distance of each particle accepted in the previous population.

HIGHLIGHTS

• The application of the Bayesian approach in RTD problems was excellent for the hydrodynamic characterization of reactors.

• The ABC SMC algorithm proved to be efficient for the calibration and selection of hydrodynamic models of reactors.

• The most influential anomaly in the flow was the dead volume.

Keywords:

• Approximate Bayesian computational
• continuous stirred-tank reactor
• hydrodynamic characterization
• model selection and calibration
• Morozov’s discrepancy
• residence time distribution

Acknowledgments

The authors dedicate this article to the memory of Professor Dr. Nielson Fernando da Paixão Ribeiro, who unfortunately passed away before the completion of this work, but who was indispensable for its realization. We express our gratitude to the great researcher, teacher and friend.

Authors’ contribution

All authors contributed to the study conception and design. Material preparation, data collection and analysis were performed by Diego Cardoso Estumano, Emanuel Negrão Macêdo, Adriano Passos Sena, Jackline Rodrigues Ferreira and João Paulo de Souza Coutinho. The first draft of the manuscript was written by Jackline Rodrigues Ferreira and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.

Consent for publication

Authors hereby consents to publication of the Work in journal Environmental Processes.

Disclosure statement

Authors disclose financial or non-financial interests that are directly or indirectly related to the work submitted for publication.

Correction Statement

This article has been corrected with minor changes. These changes do not impact the academic content of the article.

Additional information

Funding

This work has been mainly supported by CNPQ, FAPESPA, CAPES in Procad Amazônia 2018 process number 88881.200618/2018-01.