Implementation of first-principles surface interactions in a hybrid machine learning assisted modelling of flocculation

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Abstract

Machine learning algorithms are drawing attention for modelling processes in the chemical and biochemical industries. Due to a lack of fundamental understanding of complex processes and a lack of reliable real-time measurement methods in bio-based manufacturing, machine learning approaches have become more important. Hybrid modelling approaches that combine detailed process understanding with machine learning can provide an opportunity to integrate prior process knowledge with various measurement data for efficient modelling of the (bio) chemical processes. In this study, the application of a hybrid modelling framework that combines various first-principles models with machine learning algorithms is demonstrated through a laboratory-scale case of flocculation of silica particles in water. Since flocculation is a process that occurs across length- and time scales, an integrated hybrid multi-scale modelling framework can improve the phenomenological understanding of the process. The first-principles models utilized in this study are molecular scale particle surface interaction models such as combined with a larger-scale population balance model.
Original languageEnglish
Title of host publicationProceedings of the 31th European Symposium on Computer Aided Process Engineering (ESCAPE30)
EditorsMetin Türkay, Rafiqul Gani
Place of PublicationAmsterdam
PublisherElsevier
Publication date2021
Pages845-850
ISBN (Electronic)978-0-323-98325-9
DOIs
Publication statusPublished - 2021
Event31st European Symposium on Computer Aided Process Engineering (ESCAPE 31) - Istanbul, Turkey
Duration: 6 Jun 20219 Jun 2021

Conference

Conference31st European Symposium on Computer Aided Process Engineering (ESCAPE 31)
Country/TerritoryTurkey
CityIstanbul
Period06/06/202109/06/2021
SeriesComputer Aided Chemical Engineering
ISSN1570-7946

Keywords

  • Hybrid modelling
  • Flocculation
  • Surface interactions
  • Interfacial tension energy

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