A multi-scale, mechanistic model of a wet granulation process using a novel bi-directional PBM–DEM coupling algorithm
In this study, a novel mechanistic model for a wet granulation process is presented, combining the techniques of population balance modeling and discrete element methods to predict critical quality attributes of the granule product, such as porosity and size distribution. When applied to a twin scre...
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| Published in | Chemical engineering science Vol. 123; pp. 500 - 513 |
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| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier Ltd
17.02.2015
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0009-2509 1873-4405 |
| DOI | 10.1016/j.ces.2014.11.011 |
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| Abstract | In this study, a novel mechanistic model for a wet granulation process is presented, combining the techniques of population balance modeling and discrete element methods to predict critical quality attributes of the granule product, such as porosity and size distribution. When applied to a twin screw granulation process, the model shows sensitivities to the screw element type and geometry, as well as material properties (binder viscosity, pore saturation) and process parameters (screw speed, liquid-to-solid ratio). Predicted trends are consistent with experimental observations in the literature. Using this modeling framework, a model-based approach can be used to implement Quality by Design, establishing a design space to transition towards a quantitative mechanistic understanding of wet granulation processes.
•A multi-scale, mechanistic model of a wet granulation process is developed.•An efficient bi-directional coupling algorithm is implemented to exchange data between models.•Particle-scale information from DEM simulations is used to evaluate rate expressions in the PBM.•Sensitivities to process parameters, material properties, and equipment geometry are demonstrated. |
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| AbstractList | In this study, a novel mechanistic model for a wet granulation process is presented, combining the techniques of population balance modeling and discrete element methods to predict critical quality attributes of the granule product, such as porosity and size distribution. When applied to a twin screw granulation process, the model shows sensitivities to the screw element type and geometry, as well as material properties (binder viscosity, pore saturation) and process parameters (screw speed, liquid-to-solid ratio). Predicted trends are consistent with experimental observations in the literature. Using this modeling framework, a model-based approach can be used to implement Quality by Design, establishing a design space to transition towards a quantitative mechanistic understanding of wet granulation processes. In this study, a novel mechanistic model for a wet granulation process is presented, combining the techniques of population balance modeling and discrete element methods to predict critical quality attributes of the granule product, such as porosity and size distribution. When applied to a twin screw granulation process, the model shows sensitivities to the screw element type and geometry, as well as material properties (binder viscosity, pore saturation) and process parameters (screw speed, liquid-to-solid ratio). Predicted trends are consistent with experimental observations in the literature. Using this modeling framework, a model-based approach can be used to implement Quality by Design, establishing a design space to transition towards a quantitative mechanistic understanding of wet granulation processes. •A multi-scale, mechanistic model of a wet granulation process is developed.•An efficient bi-directional coupling algorithm is implemented to exchange data between models.•Particle-scale information from DEM simulations is used to evaluate rate expressions in the PBM.•Sensitivities to process parameters, material properties, and equipment geometry are demonstrated. |
| Author | Aglave, Ravindra Eppinger, Thomas Pereira, Frances E. Debus, Kristian Bermingham, Sean K. Barrasso, Dana Ramachandran, Rohit |
| Author_xml | – sequence: 1 givenname: Dana surname: Barrasso fullname: Barrasso, Dana organization: Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA – sequence: 2 givenname: Thomas surname: Eppinger fullname: Eppinger, Thomas organization: CD-adapco, Nordostpark 3-5, Nuremberg 90411, Germany – sequence: 3 givenname: Frances E. surname: Pereira fullname: Pereira, Frances E. organization: Process Systems Enterprise Ltd., 26-28 Hammersmith Grove, London W6 7HA, UK – sequence: 4 givenname: Ravindra surname: Aglave fullname: Aglave, Ravindra organization: CD-adapco, 11000 Richmond Ave, Houston, TX 77042, USA – sequence: 5 givenname: Kristian surname: Debus fullname: Debus, Kristian organization: CD-adapco, California Office, CA, USA – sequence: 6 givenname: Sean K. surname: Bermingham fullname: Bermingham, Sean K. organization: Process Systems Enterprise Ltd., 26-28 Hammersmith Grove, London W6 7HA, UK – sequence: 7 givenname: Rohit surname: Ramachandran fullname: Ramachandran, Rohit email: rohit.r@rutgers.edu organization: Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, Piscataway, NJ 08854, USA |
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| Keywords | Wet granulation Discrete element methods Population balance modeling Multi-scale modeling Quality-by-Design |
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| SubjectTerms | Algorithms Binders Discrete element method Discrete element methods Granular materials Granulation Mathematical models Multi-scale modeling Population balance modeling Porosity Process parameters Quality-by-Design Screws Wet granulation |
| Title | A multi-scale, mechanistic model of a wet granulation process using a novel bi-directional PBM–DEM coupling algorithm |
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