Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation
This work aims to present an industrial perspective on Catalytic Wet Peroxide Oxidation (CWPO) technology. Herein, process simulation and experimental design have been coupled to study the optimal process conditions to ensure high-performance oxidation, minimum H<sub>2</sub>O<sub>2...
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MDPI AG
2020-05-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/10/5/548 |
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| author | Jose L. Diaz de Tuesta Asunción Quintanilla Daniel Moreno Víctor R. Ferro Jose A. Casas |
| author_facet | Jose L. Diaz de Tuesta Asunción Quintanilla Daniel Moreno Víctor R. Ferro Jose A. Casas |
| author_sort | Jose L. Diaz de Tuesta |
| collection | DOAJ |
| description | This work aims to present an industrial perspective on Catalytic Wet Peroxide Oxidation (CWPO) technology. Herein, process simulation and experimental design have been coupled to study the optimal process conditions to ensure high-performance oxidation, minimum H<sub>2</sub>O<sub>2</sub> consumption and maximum energetic efficiency in an industrial scale CWPO unit. The CWPO of phenol in the presence of carbon black catalysts was studied as a model process in the Aspen Plus<sup>®</sup> v11 simulator. The kinetic model implemented, based on 30 kinetic equations with 11 organic compounds and H<sub>2</sub>O<sub>2</sub> involvement, was valid to describe the complex reaction network and to reproduce the experimental results. The computer experiments were designed on a six-factor Doehlert Matrix in order to describe the influence of the operating conditions (i.e., the different process temperatures, inlet chemical oxygen demands, doses of H<sub>2</sub>O<sub>2</sub> and space time) on each selected output response (conversion, efficiency of H<sub>2</sub>O<sub>2</sub> consumption and energetic efficiency) by a quadratic model. The optimization of the WPO performance by a multi-criteria function highlighted the inlet chemical oxygen demand as the most influential operating condition. It needed to have values between 9.5 and 24 g L<sup>−1</sup> for autothermal operation to be sustained under mild operating conditions (reaction temperature: 93–130 °C and pressure: 1–4 atm) and with a stoichiometric dose of H<sub>2</sub>O<sub>2</sub>. |
| first_indexed | 2024-03-10T19:48:58Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 2073-4344 |
| language | English |
| last_indexed | 2024-03-10T19:48:58Z |
| publishDate | 2020-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Catalysts |
| spelling | doaj.art-c916a2f8823c4910af5934917213f8052023-11-20T00:32:40ZengMDPI AGCatalysts2073-43442020-05-0110554810.3390/catal10050548Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal OperationJose L. Diaz de Tuesta0Asunción Quintanilla1Daniel Moreno2Víctor R. Ferro3Jose A. Casas4Mountain Research Center (CIMO), Polytechnic Institute of Bragança, Campus de Santa Apolónia, 5300 253 Bragança, PortugalChemical Engineering Department, Faculty of Science, Autonomous University of Madrid, Cantoblanco, Ctra. de Colmenar km 15, 28049 Madrid, SpainChemical Engineering Department, Faculty of Science, Autonomous University of Madrid, Cantoblanco, Ctra. de Colmenar km 15, 28049 Madrid, SpainChemical Engineering Department, Faculty of Science, Autonomous University of Madrid, Cantoblanco, Ctra. de Colmenar km 15, 28049 Madrid, SpainChemical Engineering Department, Faculty of Science, Autonomous University of Madrid, Cantoblanco, Ctra. de Colmenar km 15, 28049 Madrid, SpainThis work aims to present an industrial perspective on Catalytic Wet Peroxide Oxidation (CWPO) technology. Herein, process simulation and experimental design have been coupled to study the optimal process conditions to ensure high-performance oxidation, minimum H<sub>2</sub>O<sub>2</sub> consumption and maximum energetic efficiency in an industrial scale CWPO unit. The CWPO of phenol in the presence of carbon black catalysts was studied as a model process in the Aspen Plus<sup>®</sup> v11 simulator. The kinetic model implemented, based on 30 kinetic equations with 11 organic compounds and H<sub>2</sub>O<sub>2</sub> involvement, was valid to describe the complex reaction network and to reproduce the experimental results. The computer experiments were designed on a six-factor Doehlert Matrix in order to describe the influence of the operating conditions (i.e., the different process temperatures, inlet chemical oxygen demands, doses of H<sub>2</sub>O<sub>2</sub> and space time) on each selected output response (conversion, efficiency of H<sub>2</sub>O<sub>2</sub> consumption and energetic efficiency) by a quadratic model. The optimization of the WPO performance by a multi-criteria function highlighted the inlet chemical oxygen demand as the most influential operating condition. It needed to have values between 9.5 and 24 g L<sup>−1</sup> for autothermal operation to be sustained under mild operating conditions (reaction temperature: 93–130 °C and pressure: 1–4 atm) and with a stoichiometric dose of H<sub>2</sub>O<sub>2</sub>.https://www.mdpi.com/2073-4344/10/5/548catalytic wet peroxide oxidationcarbon catalystASPEN plussimulation and optimizationdesign of experimentsenergetic efficiency |
| spellingShingle | Jose L. Diaz de Tuesta Asunción Quintanilla Daniel Moreno Víctor R. Ferro Jose A. Casas Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation Catalysts catalytic wet peroxide oxidation carbon catalyst ASPEN plus simulation and optimization design of experiments energetic efficiency |
| title | Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation |
| title_full | Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation |
| title_fullStr | Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation |
| title_full_unstemmed | Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation |
| title_short | Simulation and Optimization of the CWPO Process by Combination of Aspen Plus and 6-Factor Doehlert Matrix: Towards Autothermal Operation |
| title_sort | simulation and optimization of the cwpo process by combination of aspen plus and 6 factor doehlert matrix towards autothermal operation |
| topic | catalytic wet peroxide oxidation carbon catalyst ASPEN plus simulation and optimization design of experiments energetic efficiency |
| url | https://www.mdpi.com/2073-4344/10/5/548 |
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