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New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization
In this paper, we focus on providing a discrete formulation for a reduced aggregation population balance equation. The new formulation is simpler, easier to code, and adaptable to any type of grid. The presented method is extended to address a mixed-suspension mixed-product removal (MSMPR) system wh...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9547794/ https://www.ncbi.nlm.nih.gov/pubmed/35945303 http://dx.doi.org/10.1007/s11095-022-03349-0 |
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author | Singh, Mehakpreet Walker, Gavin |
author_facet | Singh, Mehakpreet Walker, Gavin |
author_sort | Singh, Mehakpreet |
collection | PubMed |
description | In this paper, we focus on providing a discrete formulation for a reduced aggregation population balance equation. The new formulation is simpler, easier to code, and adaptable to any type of grid. The presented method is extended to address a mixed-suspension mixed-product removal (MSMPR) system where aggregation and nucleation are the primary mechanisms that affect particle characteristics (or distributions). The performance of the proposed formulation is checked and verified against the cell average technique using both gelling and non gelling kernels. The testing is carried out on two benchmarking applications, namely batch and MSMPR systems. The new technique is shown to be computationally less expensive (approximately 40%) and predict numerical results with higher precision even on a coarser grid. Even with a revised grid, the new approach tends to outperform the cell average technique while requiring less computational effort. Thus the new approach can be easily adapted to model the crystallization process arising in pharmaceutical sciences and chemical engineering. |
format | Online Article Text |
id | pubmed-9547794 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Springer US |
record_format | MEDLINE/PubMed |
spelling | pubmed-95477942022-10-10 New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization Singh, Mehakpreet Walker, Gavin Pharm Res Original Research Article In this paper, we focus on providing a discrete formulation for a reduced aggregation population balance equation. The new formulation is simpler, easier to code, and adaptable to any type of grid. The presented method is extended to address a mixed-suspension mixed-product removal (MSMPR) system where aggregation and nucleation are the primary mechanisms that affect particle characteristics (or distributions). The performance of the proposed formulation is checked and verified against the cell average technique using both gelling and non gelling kernels. The testing is carried out on two benchmarking applications, namely batch and MSMPR systems. The new technique is shown to be computationally less expensive (approximately 40%) and predict numerical results with higher precision even on a coarser grid. Even with a revised grid, the new approach tends to outperform the cell average technique while requiring less computational effort. Thus the new approach can be easily adapted to model the crystallization process arising in pharmaceutical sciences and chemical engineering. Springer US 2022-08-09 2022 /pmc/articles/PMC9547794/ /pubmed/35945303 http://dx.doi.org/10.1007/s11095-022-03349-0 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/ Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Original Research Article Singh, Mehakpreet Walker, Gavin New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title | New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title_full | New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title_fullStr | New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title_full_unstemmed | New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title_short | New Discrete Formulation for Reduced Population Balance Equation: An Illustration to Crystallization |
title_sort | new discrete formulation for reduced population balance equation: an illustration to crystallization |
topic | Original Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9547794/ https://www.ncbi.nlm.nih.gov/pubmed/35945303 http://dx.doi.org/10.1007/s11095-022-03349-0 |
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