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المؤلفBadran, Ismail
المؤلفTalie, Zeinab
تاريخ الإتاحة2022-01-25T07:05:45Z
تاريخ النشر2021-09-01
اسم المنشورIranian Journal of Chemistry and Chemical Engineering
المعرّفhttp://dx.doi.org/10.30492/ijcce.2020.39818
الاقتباسBadran, 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
الرقم المعياري الدولي للكتاب10219986
معرّف المصادر الموحدhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85096388907&origin=inward
معرّف المصادر الموحدhttp://hdl.handle.net/10576/25915
الملخصThe 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.
اللغةen
الناشرIranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
الموضوعAlizarin
Wastewater
Reaction kinetics
Negative activation energy
Anti-Arrhenius
العنوانKinetics of alizarin dye hydrolysis in alkaline medium for wastewater treatment
النوعArticle
الصفحات1490-1501
رقم العدد5
رقم المجلد40
dc.accessType Open Access


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