A detailed particle model for polydisperse aggregate particles
The mathematical description of a new detailed particle model for polydisperse aggregate particles is presented. An aggregate particle is represented as a collection of overlapping spherical primary particles and the model resolves the composition, radius and position coordinates of each individual...
| Main Authors: | , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2021
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/152274 |
| _version_ | 1826124411352121344 |
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| author | Lindberg, Casper S. Manuputty, Manoel Y. Yapp, Edward Kien Yee Akroyd, Jethro Xu, Rong Kraft, Markus |
| author2 | School of Chemical and Biomedical Engineering |
| author_facet | School of Chemical and Biomedical Engineering Lindberg, Casper S. Manuputty, Manoel Y. Yapp, Edward Kien Yee Akroyd, Jethro Xu, Rong Kraft, Markus |
| author_sort | Lindberg, Casper S. |
| collection | NTU |
| description | The mathematical description of a new detailed particle model for polydisperse aggregate particles is presented. An aggregate particle is represented as a collection of overlapping spherical primary particles and the model resolves the composition, radius and position coordinates of each individual primary to form a detailed geometrical description of aggregate morphology. Particles transform under inception, coagulation, surface growth, sintering and coalescence processes. The new particle description is used to model the aerosol synthesis of titanium dioxide ((Figure presented.)) aggregates from titanium tetraisopropoxide (TTIP) precursor. (Figure presented.) particles are formed through collision-limited inception and growth reactions of (Figure presented.) from the gas-phase, produced from the thermal decomposition of TTIP. Coupling between the particle population balance and detailed gas-phase chemistry is achieved by operator splitting. A numerical study is performed by simulating a simple batch reactor test case to investigate the convergence behaviour of key functionals with respect to the maximum number of computational particles and splitting time step. Finally, a lab-scale hot wall reactor is simulated to demonstrate the advantages of a detailed geometrical description. Simulated particle size distributions were in reasonable agreement with experimental data. Further evaluation of the model and a parametric sensitivity study are recommended. |
| first_indexed | 2024-10-01T06:20:11Z |
| format | Journal Article |
| id | ntu-10356/152274 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T06:20:11Z |
| publishDate | 2021 |
| record_format | dspace |
| spelling | ntu-10356/1522742023-12-29T06:50:39Z A detailed particle model for polydisperse aggregate particles Lindberg, Casper S. Manuputty, Manoel Y. Yapp, Edward Kien Yee Akroyd, Jethro Xu, Rong Kraft, Markus School of Chemical and Biomedical Engineering Cambridge Centre for Advanced Research and Education in Singapore (CARES) Engineering::Chemical engineering Detailed Particle Model Stochastic The mathematical description of a new detailed particle model for polydisperse aggregate particles is presented. An aggregate particle is represented as a collection of overlapping spherical primary particles and the model resolves the composition, radius and position coordinates of each individual primary to form a detailed geometrical description of aggregate morphology. Particles transform under inception, coagulation, surface growth, sintering and coalescence processes. The new particle description is used to model the aerosol synthesis of titanium dioxide ((Figure presented.)) aggregates from titanium tetraisopropoxide (TTIP) precursor. (Figure presented.) particles are formed through collision-limited inception and growth reactions of (Figure presented.) from the gas-phase, produced from the thermal decomposition of TTIP. Coupling between the particle population balance and detailed gas-phase chemistry is achieved by operator splitting. A numerical study is performed by simulating a simple batch reactor test case to investigate the convergence behaviour of key functionals with respect to the maximum number of computational particles and splitting time step. Finally, a lab-scale hot wall reactor is simulated to demonstrate the advantages of a detailed geometrical description. Simulated particle size distributions were in reasonable agreement with experimental data. Further evaluation of the model and a parametric sensitivity study are recommended. National Research Foundation (NRF) Accepted version This project is supported by the National Research Foundation (NRF), Prime Minister’s Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme. The authors also thank Venator for generous financial support. 2021-07-28T07:28:47Z 2021-07-28T07:28:47Z 2019 Journal Article Lindberg, C. S., Manuputty, M. Y., Yapp, E. K. Y., Akroyd, J., Xu, R. & Kraft, M. (2019). A detailed particle model for polydisperse aggregate particles. Journal of Computational Physics, 397, 108799-. https://dx.doi.org/10.1016/j.jcp.2019.06.074 0021-9991 https://hdl.handle.net/10356/152274 10.1016/j.jcp.2019.06.074 2-s2.0-85072579523 397 108799 en Journal of Computational Physics © 2019 Elsevier Inc. All rights reserved. This paper was published in Journal of Computational Physics and is made available with permission of Elsevier Inc. application/pdf application/pdf |
| spellingShingle | Engineering::Chemical engineering Detailed Particle Model Stochastic Lindberg, Casper S. Manuputty, Manoel Y. Yapp, Edward Kien Yee Akroyd, Jethro Xu, Rong Kraft, Markus A detailed particle model for polydisperse aggregate particles |
| title | A detailed particle model for polydisperse aggregate particles |
| title_full | A detailed particle model for polydisperse aggregate particles |
| title_fullStr | A detailed particle model for polydisperse aggregate particles |
| title_full_unstemmed | A detailed particle model for polydisperse aggregate particles |
| title_short | A detailed particle model for polydisperse aggregate particles |
| title_sort | detailed particle model for polydisperse aggregate particles |
| topic | Engineering::Chemical engineering Detailed Particle Model Stochastic |
| url | https://hdl.handle.net/10356/152274 |
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