Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm
Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be e...
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Universidade Federal de Viçosa (UFV)
2023-02-01
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| Series: | The Journal of Engineering and Exact Sciences |
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| Online Access: | https://periodicos.ufv.br/jcec/article/view/15327 |
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| author | Edward Uchechukwu Iwuchukwu Ardson dos Santos Junior Vianna |
| author_facet | Edward Uchechukwu Iwuchukwu Ardson dos Santos Junior Vianna |
| author_sort | Edward Uchechukwu Iwuchukwu |
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Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale.
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| format | Article |
| id | doaj-art-4e263b411ae640b696640d5a1061d3ee |
| institution | Kabale University |
| issn | 2527-1075 |
| language | English |
| publishDate | 2023-02-01 |
| publisher | Universidade Federal de Viçosa (UFV) |
| record_format | Article |
| series | The Journal of Engineering and Exact Sciences |
| spelling | doaj-art-4e263b411ae640b696640d5a1061d3ee2025-02-02T19:55:27ZengUniversidade Federal de Viçosa (UFV)The Journal of Engineering and Exact Sciences2527-10752023-02-019110.18540/jcecvl9iss1pp15327-01eStochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie AlgorithmEdward Uchechukwu Iwuchukwu0Ardson dos Santos Junior Vianna1Department of Chemical Engineering, Polytechnic School, University of São Paulo, São Paulo, BrazilDepartment of Chemical Engineering, Polytechnic School, University of São Paulo, São Paulo, Brazil Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale. https://periodicos.ufv.br/jcec/article/view/15327Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
| spellingShingle | Edward Uchechukwu Iwuchukwu Ardson dos Santos Junior Vianna Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm The Journal of Engineering and Exact Sciences Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
| title | Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
| title_full | Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
| title_fullStr | Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
| title_full_unstemmed | Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
| title_short | Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm |
| title_sort | stochastic modelling and simulation of free radical polymerization of styrene in microchannels using a hybrid gillespie algorithm |
| topic | Polystyrene, Microchannels, Hybrid Stochastic Simulation Algorithm, Gillespie Algorithm, Free Radical Polymerization, Process Intensification. |
| url | https://periodicos.ufv.br/jcec/article/view/15327 |
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