Kinetics of alizarin dye hydrolysis in alkaline medium for wastewater treatment
Author | Badran, Ismail |
Author | Talie, Zeinab |
Available date | 2022-01-25T07:05:45Z |
Publication Date | 2021-09-01 |
Publication Name | Iranian Journal of Chemistry and Chemical Engineering |
Identifier | http://dx.doi.org/10.30492/ijcce.2020.39818 |
Citation | Badran, I., Talie, Z. (2021). Kinetics of Alizarin Dye Hydrolysis in Alkaline Medium for Wastewater Treatment. Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 40(5), 1490-1501. doi: 10.30492/ijcce.2020.39818 |
ISSN | 10219986 |
Abstract | The kinetics of the hydrolysis of Alizarin dye (ALZ) in the basic medium is investigated for the purpose of wastewater treatment. ALZ represents a group of aromatic dyes, that are heavy, toxic, and non-biodegradable. The kinetics of the reaction was followed by UV-Vis spectrophotometry and ab-initio computational methods. The effects of initial concentration, ionic strength, and temperature were studied. The kinetic salt effect (ionic strength) demonstrated that OH– is part of the rate-determining step of the reaction. Unlike common reactions, anti-Arrhenius behavior was observed within the temperature range of 25-50°C. Therefore, the apparent activation energy was determined to be-23.91 kcal/mol. Using theoretical quantum calculations, the reaction under study was investigated using the density functionals B3LYP and B97D3, and final energies were obtained using the 2nd order Moller-Plesset (MP2) theory. A complex reaction mechanism is suggested that involves the formation of an intermediate that combines the ALZ anion and water molecule attached by H-bonding. The mechanism accounted for the anti-Arrhenius behavior and the negative Ea. The standard reaction enthalpy (ΔH298) obtained using the B97D3 Grimme’s functional was within the range of the experimental Ea value. |
Language | en |
Publisher | Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR |
Subject | Alizarin Wastewater Reaction kinetics Negative activation energy Anti-Arrhenius |
Type | Article |
Pagination | 1490-1501 |
Issue Number | 5 |
Volume Number | 40 |
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Chemistry & Earth Sciences [557 items ]