Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics
The aim of this study was the evaluation of the safety parameters: Time to Maximum Rate under adiabatic conditions (TMRad) and self-accelerating decomposition temperature (SADT) for 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole −5-carboxylic acid (BDPCA) using evaluated kinetic parame...
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| Format: | Article |
| Language: | English |
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Elsevier
2021-01-01
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| Series: | Results in Chemistry |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211715621000175 |
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| author | Yun-Bo Cong Zhen-Yun Wei Xiao-Hua Ma Zi-Liang Li Quan-Guo Li Xu Ming Chun-Sheng Cheng |
| author_facet | Yun-Bo Cong Zhen-Yun Wei Xiao-Hua Ma Zi-Liang Li Quan-Guo Li Xu Ming Chun-Sheng Cheng |
| author_sort | Yun-Bo Cong |
| collection | DOAJ |
| description | The aim of this study was the evaluation of the safety parameters: Time to Maximum Rate under adiabatic conditions (TMRad) and self-accelerating decomposition temperature (SADT) for 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole −5-carboxylic acid (BDPCA) using evaluated kinetic parameters. The required decomposition kinetics was determined from the results of differential scanning calorimetry (DSC), microcalorimetry (C600), and adiabatic accelerating calorimeter (ARC). AKTS Thermokinetics (TK) and Thermal Safety (TS) Software were used for evaluation of the kinetic parameters of a decomposition reaction. The kinetic analysis was based on the isoconversional Friedman method. The values of TMRad amount to 110.2 °C, 107.3 °C, and 104.9 °C when calculated from the data collected by DSC, C600, and ARC, respectively. The simulated values of SADT for a 50 kg package of BDPCA amount to 101 °C and 96 °C when elaborating the DSC and C600 signals, respectively. Obtained results indicate that the application of kinetic parameters evaluated from the experiments carried out by three different calorimetric devices resulted in the evaluation of consistent safety parameters. |
| first_indexed | 2024-12-21T00:59:24Z |
| format | Article |
| id | doaj.art-e0a0b2e846fb4bcda81d37bb27387fdf |
| institution | Directory Open Access Journal |
| issn | 2211-7156 |
| language | English |
| last_indexed | 2024-12-21T00:59:24Z |
| publishDate | 2021-01-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Chemistry |
| spelling | doaj.art-e0a0b2e846fb4bcda81d37bb27387fdf2022-12-21T19:21:14ZengElsevierResults in Chemistry2211-71562021-01-013100112Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kineticsYun-Bo Cong0Zhen-Yun Wei1Xiao-Hua Ma2Zi-Liang Li3Quan-Guo Li4Xu Ming5Chun-Sheng Cheng6School of Environmental and Chemical Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China; Chemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaSchool of Material Science and Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China; Chemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaSchool of Material Science and Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China; Chemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaSchool of Material Science and Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China; Chemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaChemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaChemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, ChinaSchool of Environmental and Chemical Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China; Chemical Industry Safety Technology & Engineering Center, Shenyang Research Institute of Chemical Industry, Shenyang 110021, Liaoning, China; Corresponding author at: School of Environmental and Chemical Engineering, Shenyang University of Technology, Shenyang 110870, Liaoning, China.The aim of this study was the evaluation of the safety parameters: Time to Maximum Rate under adiabatic conditions (TMRad) and self-accelerating decomposition temperature (SADT) for 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole −5-carboxylic acid (BDPCA) using evaluated kinetic parameters. The required decomposition kinetics was determined from the results of differential scanning calorimetry (DSC), microcalorimetry (C600), and adiabatic accelerating calorimeter (ARC). AKTS Thermokinetics (TK) and Thermal Safety (TS) Software were used for evaluation of the kinetic parameters of a decomposition reaction. The kinetic analysis was based on the isoconversional Friedman method. The values of TMRad amount to 110.2 °C, 107.3 °C, and 104.9 °C when calculated from the data collected by DSC, C600, and ARC, respectively. The simulated values of SADT for a 50 kg package of BDPCA amount to 101 °C and 96 °C when elaborating the DSC and C600 signals, respectively. Obtained results indicate that the application of kinetic parameters evaluated from the experiments carried out by three different calorimetric devices resulted in the evaluation of consistent safety parameters.http://www.sciencedirect.com/science/article/pii/S2211715621000175Pyrazole acid (BDPCA)Thermal decomposition kineticsTMRadSADTDSCC600 |
| spellingShingle | Yun-Bo Cong Zhen-Yun Wei Xiao-Hua Ma Zi-Liang Li Quan-Guo Li Xu Ming Chun-Sheng Cheng Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics Results in Chemistry Pyrazole acid (BDPCA) Thermal decomposition kinetics TMRad SADT DSC C600 |
| title | Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics |
| title_full | Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics |
| title_fullStr | Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics |
| title_full_unstemmed | Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics |
| title_short | Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics |
| title_sort | determination of sadt and tmrad of 3 bromo 1 3 5 dichloropyridin 2 yl 4 5 dihydro 1h pyrazole 5 carboxylic acid applying thermal decomposition kinetics |
| topic | Pyrazole acid (BDPCA) Thermal decomposition kinetics TMRad SADT DSC C600 |
| url | http://www.sciencedirect.com/science/article/pii/S2211715621000175 |
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