| Title: | A coupled multilevel vial lyophilization model for the pressure coupling in a freeze dryer |
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| Authors: | ID Kamenik, Blaž (Author)
ID Ravnik, Jure (Author)
ID Gomboc, Timi (Author)
ID Zadravec, Matej (Author)
ID Hriberšek, Matjaž (Author) |
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| Files: |  1-s2.0-S1359431125014140-main.pdf (4,01 MB)
MD5: 3C5F98D76FA7CF37A9C476711088C5FB
 https://www.sciencedirect.com/science/article/pii/S1359431125014140?via%3Dihub
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| Language: | English |
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| Work type: | Article |
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| Typology: | 1.01 - Original Scientific Article |
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| Organization: | FS - Faculty of Mechanical Engineering
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| Abstract: | With computational modeling of lyophilization in vials, the pressure coupling between the sublimation front and the drying chamber has traditionally been calculated using a simplified mass transfer resistance model in the form of a model, which takes into account the headspace and the stopper in a simplified way. In developing a 3D CFD-based digital twin of lyophilization in vials, a need arises for a mass flow rate-dependent vial headspace/stopper model, as it enables a more accurate calculation of the pressure conditions above the shelf as well as pressure conditions directly at the sublimation front, the latter directly affecting the sublimation mass transfer rate as well as the temperature inside the product, which is crucial for determining the risk of product collapse. The local pressure variations at a shelf level affect the heat transfer conditions due to heat conduction in the low pressure environment of the drying chamber. In the present work the development of a coupled multilevel vial lyophilization model for the freeze-drying of vials is reported, with the time-dependent 1D heat and mass transfer model at the vial level coupled with the time-dependent 3D low-pressure CFD model of the flow of the water vapor–air mixture in the drying chamber heated by the shelves. A direct pressure coupling between the sublimation front and the drying chamber space in form of vial type specific headspace/stopper resistance model is implemented. The developed multilevel lyophilization model is used to study the pressure build-up above the shelf and the headspace of the vial and its influence on the product temperature at the bottom of the vial using simulations carried out for different chamber pressures (6 Pa and 22 Pa), shelf temperatures (−20 oC and +10 oC) and vial types (10R and 15R). By implementing previously developed vial headspace/stopper pressure resistance models, the computational results show that the pressure build-up above the shelf and vial headspace significantly affect the product temperature at the bottom of the vial, especially at low chamber pressures ( Pa) and small gap sizes between the rubber stopper and the shelf above it. The increased pressure outside the vial leads also to higher heat transfer by conduction, which is particularly pronounced at the central shelf positions and within smaller shelf gaps. These results underline the importance of using a coupled multilevel model when analyzing the relationship between the local pressure variations above the shelf and their direct influence on product drying conditions, further improving the predictive capabilities of CFD based multilevel lyophilization models, especially with respect to detecting the product collapse temperature. |
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| Keywords: | freeze-drying, conjugate heat and mass transfer, computational fluid dynamics, multi-scale modeling |
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| Publication status: | Published |
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| Publication version: | Version of Record |
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| Submitted for review: | 03.12.2024 |
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| Article acceptance date: | 12.05.2025 |
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| Publication date: | 03.06.2025 |
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| Publisher: | Elsevier B.V. |
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| Year of publishing: | 2025 |
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| Number of pages: | 16 str. |
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| Numbering: | Vol. 277, [article no.] 126822 |
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| PID: | 20.500.12556/DKUM-93280  |
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| UDC: | 536:519.6 |
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| ISSN on article: | 1873-5606 |
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| COBISS.SI-ID: | 239060995 |
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| DOI: | 10.1016/j.applthermaleng.2025.126822 |
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| Publication date in DKUM: | 17.06.2025 |
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| Views: | 211 |
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| Downloads: | 20 |
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| Metadata: |    |
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| Categories: | Misc.
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