Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate
Online near-infrared spectroscopy was used as a process analysis technique in the synthesis of 2-chloropropionate for the first time. Then, the partial least squares regression (PLSR) quantitative model of the product solution concentration was established and optimized. Correlation coefficient (R2)...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2015-01-01
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| Series: | International Journal of Analytical Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2015/145315 |
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| _version_ | 1832564599883300864 |
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| author | Wei Zhang Hang Song Jing Lu Wen Liu Lirong Nie Shun Yao |
| author_facet | Wei Zhang Hang Song Jing Lu Wen Liu Lirong Nie Shun Yao |
| author_sort | Wei Zhang |
| collection | DOAJ |
| description | Online near-infrared spectroscopy was used as a process analysis technique in the synthesis of 2-chloropropionate for the first time. Then, the partial least squares regression (PLSR) quantitative model of the product solution concentration was established and optimized. Correlation coefficient (R2) of partial least squares regression (PLSR) calibration model was 0.9944, and the root mean square error of correction (RMSEC) was 0.018105 mol/L. These values of PLSR and RMSEC could prove that the quantitative calibration model had good performance. Moreover, the root mean square error of prediction (RMSEP) of validation set was 0.036429 mol/L. The results were very similar to those of offline gas chromatographic analysis, which could prove the method was valid. |
| format | Article |
| id | doaj-art-359aab48ae2c4b38b07ee9a0ce467d55 |
| institution | Kabale University |
| issn | 1687-8760 1687-8779 |
| language | English |
| publishDate | 2015-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Analytical Chemistry |
| spelling | doaj-art-359aab48ae2c4b38b07ee9a0ce467d552025-02-03T01:10:33ZengWileyInternational Journal of Analytical Chemistry1687-87601687-87792015-01-01201510.1155/2015/145315145315Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-ChloropropionateWei Zhang0Hang Song1Jing Lu2Wen Liu3Lirong Nie4Shun Yao5School of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaSchool of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaSchool of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaSchool of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaSchool of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaSchool of Chemical Engineering, Sichuan University, Chengdu 610065, ChinaOnline near-infrared spectroscopy was used as a process analysis technique in the synthesis of 2-chloropropionate for the first time. Then, the partial least squares regression (PLSR) quantitative model of the product solution concentration was established and optimized. Correlation coefficient (R2) of partial least squares regression (PLSR) calibration model was 0.9944, and the root mean square error of correction (RMSEC) was 0.018105 mol/L. These values of PLSR and RMSEC could prove that the quantitative calibration model had good performance. Moreover, the root mean square error of prediction (RMSEP) of validation set was 0.036429 mol/L. The results were very similar to those of offline gas chromatographic analysis, which could prove the method was valid.http://dx.doi.org/10.1155/2015/145315 |
| spellingShingle | Wei Zhang Hang Song Jing Lu Wen Liu Lirong Nie Shun Yao Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate International Journal of Analytical Chemistry |
| title | Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate |
| title_full | Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate |
| title_fullStr | Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate |
| title_full_unstemmed | Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate |
| title_short | Online NIR Analysis and Prediction Model for Synthesis Process of Ethyl 2-Chloropropionate |
| title_sort | online nir analysis and prediction model for synthesis process of ethyl 2 chloropropionate |
| url | http://dx.doi.org/10.1155/2015/145315 |
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