Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters
In the present paper, the liquid–liquid micro extraction of 4-tert-butylphenol from aqueous solution to trioctyl phosphate organic phase in carbon paste electrode was studied by potentiometry and semi-empirical quantum chemistry with MOPAC2009. The extraction dynamic process was monitored by open ci...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2017-05-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535214000884 |
| _version_ | 1819267168844382208 |
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| author | Xiurong Zhu Yongchun Zhu Yan Zhang Fei Li Shigang Xin |
| author_facet | Xiurong Zhu Yongchun Zhu Yan Zhang Fei Li Shigang Xin |
| author_sort | Xiurong Zhu |
| collection | DOAJ |
| description | In the present paper, the liquid–liquid micro extraction of 4-tert-butylphenol from aqueous solution to trioctyl phosphate organic phase in carbon paste electrode was studied by potentiometry and semi-empirical quantum chemistry with MOPAC2009. The extraction dynamic process was monitored by open circuit potential method, which follows an exponential association function with the apparent first extraction kinetic rate constant of 0.01685 s−1. The Nernstian plot of potential difference of the open circuit potentials against logarithm of 4-tert-butylphenol concentration at 500 s extraction time gives a slope of 0.01382, and indicates that 3 or 4 of 4-tert-butylphenol molecules can be extracted by one cluster of trioctyl phosphate dimer. This equation can also serve as working curve for the determination of 4-tert-butylphenol in the concentration range of 1.0 × 10−4–5.0 × 10−7 M with detection limit of 5.0 × 10−7 M (n = 3, ratio of signal/noise = 3). The semi-empirical quantum chemical calculation offers a thermodynamic evidence for the molecular mechanism of the liquid–liquid micro extraction of 4-tert-butylphenol from aqueous solution to trioctyl phosphate cluster. |
| first_indexed | 2024-12-23T21:12:53Z |
| format | Article |
| id | doaj.art-97eb359564b744e49b961cd7186090d9 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-12-23T21:12:53Z |
| publishDate | 2017-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-97eb359564b744e49b961cd7186090d92022-12-21T17:31:01ZengElsevierArabian Journal of Chemistry1878-53522017-05-0110S2S3774S378010.1016/j.arabjc.2014.05.012Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clustersXiurong Zhu0Yongchun Zhu1Yan Zhang2Fei Li3Shigang Xin4Mechanical & Electrical Engineering College, Jilin Teachers Institute of Engineering and Technology, Changchun, Jilin 130033, ChinaCollege of Chemistry and Life Sciences, Shenyang Normal University, Shenyang, Liaoning 110034, ChinaCollege of Chemistry and Life Sciences, Shenyang Normal University, Shenyang, Liaoning 110034, ChinaCollege of Chemistry and Life Sciences, Shenyang Normal University, Shenyang, Liaoning 110034, ChinaCollege of Chemistry and Life Sciences, Shenyang Normal University, Shenyang, Liaoning 110034, ChinaIn the present paper, the liquid–liquid micro extraction of 4-tert-butylphenol from aqueous solution to trioctyl phosphate organic phase in carbon paste electrode was studied by potentiometry and semi-empirical quantum chemistry with MOPAC2009. The extraction dynamic process was monitored by open circuit potential method, which follows an exponential association function with the apparent first extraction kinetic rate constant of 0.01685 s−1. The Nernstian plot of potential difference of the open circuit potentials against logarithm of 4-tert-butylphenol concentration at 500 s extraction time gives a slope of 0.01382, and indicates that 3 or 4 of 4-tert-butylphenol molecules can be extracted by one cluster of trioctyl phosphate dimer. This equation can also serve as working curve for the determination of 4-tert-butylphenol in the concentration range of 1.0 × 10−4–5.0 × 10−7 M with detection limit of 5.0 × 10−7 M (n = 3, ratio of signal/noise = 3). The semi-empirical quantum chemical calculation offers a thermodynamic evidence for the molecular mechanism of the liquid–liquid micro extraction of 4-tert-butylphenol from aqueous solution to trioctyl phosphate cluster.http://www.sciencedirect.com/science/article/pii/S1878535214000884Liquid–liquid micro extractionOpen circuit potential4-tert-ButylphenolTrioctyl phosphateSemi-empirical quantum chemistry |
| spellingShingle | Xiurong Zhu Yongchun Zhu Yan Zhang Fei Li Shigang Xin Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters Arabian Journal of Chemistry Liquid–liquid micro extraction Open circuit potential 4-tert-Butylphenol Trioctyl phosphate Semi-empirical quantum chemistry |
| title | Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters |
| title_full | Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters |
| title_fullStr | Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters |
| title_full_unstemmed | Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters |
| title_short | Potentiometric and semi-empirical quantum chemical studies on liquid–liquid micro-extraction of 4-tert-butylphenol with trioctyl phosphate clusters |
| title_sort | potentiometric and semi empirical quantum chemical studies on liquid liquid micro extraction of 4 tert butylphenol with trioctyl phosphate clusters |
| topic | Liquid–liquid micro extraction Open circuit potential 4-tert-Butylphenol Trioctyl phosphate Semi-empirical quantum chemistry |
| url | http://www.sciencedirect.com/science/article/pii/S1878535214000884 |
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