Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst
The importance and need for greener and more sustainable chemical processes and technologies can hardly be overestimated. However, many industries still produce a considerable amount of waste. Reusing these waste streams is an indispensable piece towards realizing fully circular and sustainable econ...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-03-01
|
| Series: | Chemical Engineering Journal Advances |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666821124001108 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832557551939485696 |
|---|---|
| author | László Balogh Jenő Bódis Botond Szilágyi Ágnes Bárkányi Attila Egedy |
| author_facet | László Balogh Jenő Bódis Botond Szilágyi Ágnes Bárkányi Attila Egedy |
| author_sort | László Balogh |
| collection | DOAJ |
| description | The importance and need for greener and more sustainable chemical processes and technologies can hardly be overestimated. However, many industries still produce a considerable amount of waste. Reusing these waste streams is an indispensable piece towards realizing fully circular and sustainable economy. Accordingly, it is imperative to operate chemical processes with maximal recycling to minimize waste generation. The study presents in the aforedescribed spirit, the synthesis of propionic acid, where the various goals are optimally realized by unleashing the predictive power of nonlinear process model. A method for synthesizing propionic acid is through the heterogeneous catalytic reaction route between ethylene gas, carbon monoxide, and water. The atom efficiency of the process is 100% with the possibility of fully separating the products and recirculating the unreacted starting materials. Hence, the chemistry of the proposed catalytic route is material efficient. To make the process operate well, we apply the available measured data co construct a kinetic model, and use it to optimize the system subject to various goals. The data were not primarily measured for modeling, but for parametric reactor analysis. Yet, using the apriori knowledge about the process (i.e., the microkinetics of the reactions), the data enabled the kinetic model identification, resulting in a fitting on the measured outputs characterized by a coefficient of determination of 0.76. The operating parameters were optimized by using this model to enhance the energy and material efficiency of the process. The optimized turnover frequency happened to be is 3.974 mol/m3catalyst/s, reached at 264 °C, 12 bar and ethylene:CO:H2O:EtI = 0.379:0.098:0.506:0.016 starting material ratio. |
| format | Article |
| id | doaj-art-dd5e7156ff2d4fae9bb75e5a53953cea |
| institution | Kabale University |
| issn | 2666-8211 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Chemical Engineering Journal Advances |
| spelling | doaj-art-dd5e7156ff2d4fae9bb75e5a53953cea2025-02-03T04:17:01ZengElsevierChemical Engineering Journal Advances2666-82112025-03-0121100693Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalystLászló Balogh0Jenő Bódis1Botond Szilágyi2Ágnes Bárkányi3Attila Egedy4Department of Process Engineering, Faculty of Engineering, University of Pannonia, Egyetem Street 10., Veszprém, 8200, Hungary; Corresponding author.Faculty of Chemistry and Chemical Engineering, Raluca Ripan Institute for Research in Chemistry, Babes-Bolyai University, Mihail Kogalniceanu 1, Cluj-Napoca, 400084, RomaniaDepartment of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Műegyetem rkp. 3., Budapest, H-1111, HungaryDepartment of Process Engineering, Faculty of Engineering, University of Pannonia, Egyetem Street 10., Veszprém, 8200, HungaryDepartment of Process Engineering, Faculty of Engineering, University of Pannonia, Egyetem Street 10., Veszprém, 8200, HungaryThe importance and need for greener and more sustainable chemical processes and technologies can hardly be overestimated. However, many industries still produce a considerable amount of waste. Reusing these waste streams is an indispensable piece towards realizing fully circular and sustainable economy. Accordingly, it is imperative to operate chemical processes with maximal recycling to minimize waste generation. The study presents in the aforedescribed spirit, the synthesis of propionic acid, where the various goals are optimally realized by unleashing the predictive power of nonlinear process model. A method for synthesizing propionic acid is through the heterogeneous catalytic reaction route between ethylene gas, carbon monoxide, and water. The atom efficiency of the process is 100% with the possibility of fully separating the products and recirculating the unreacted starting materials. Hence, the chemistry of the proposed catalytic route is material efficient. To make the process operate well, we apply the available measured data co construct a kinetic model, and use it to optimize the system subject to various goals. The data were not primarily measured for modeling, but for parametric reactor analysis. Yet, using the apriori knowledge about the process (i.e., the microkinetics of the reactions), the data enabled the kinetic model identification, resulting in a fitting on the measured outputs characterized by a coefficient of determination of 0.76. The operating parameters were optimized by using this model to enhance the energy and material efficiency of the process. The optimized turnover frequency happened to be is 3.974 mol/m3catalyst/s, reached at 264 °C, 12 bar and ethylene:CO:H2O:EtI = 0.379:0.098:0.506:0.016 starting material ratio.http://www.sciencedirect.com/science/article/pii/S2666821124001108Limited data based modelingKinetic modelingOptimizationRh/C catalyst |
| spellingShingle | László Balogh Jenő Bódis Botond Szilágyi Ágnes Bárkányi Attila Egedy Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst Chemical Engineering Journal Advances Limited data based modeling Kinetic modeling Optimization Rh/C catalyst |
| title | Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst |
| title_full | Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst |
| title_fullStr | Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst |
| title_full_unstemmed | Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst |
| title_short | Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst |
| title_sort | limited data based kinetic modeling and optimization of propionic acid synthesis over supported rh c catalyst |
| topic | Limited data based modeling Kinetic modeling Optimization Rh/C catalyst |
| url | http://www.sciencedirect.com/science/article/pii/S2666821124001108 |
| work_keys_str_mv | AT laszlobalogh limiteddatabasedkineticmodelingandoptimizationofpropionicacidsynthesisoversupportedrhccatalyst AT jenobodis limiteddatabasedkineticmodelingandoptimizationofpropionicacidsynthesisoversupportedrhccatalyst AT botondszilagyi limiteddatabasedkineticmodelingandoptimizationofpropionicacidsynthesisoversupportedrhccatalyst AT agnesbarkanyi limiteddatabasedkineticmodelingandoptimizationofpropionicacidsynthesisoversupportedrhccatalyst AT attilaegedy limiteddatabasedkineticmodelingandoptimizationofpropionicacidsynthesisoversupportedrhccatalyst |