Розкладання пероксиду бензоїлу на поверхні вуглецевих матеріалів на основі активованого вугілля КАУ

• Дата: 2017
• Автори: Haliarnyk, D. M., Demianenko, E. M., Bakalinska, O. M., Kulyk, T. V., Palyanytsya, B. B., Grebenyuk, A. G., Kuts, V. S., Kartel, M. T.
• Формат: Стаття
• Мова: Англійська
• Опубліковано: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2017
• Теми: різновиди активованого вугілля КАУ; пероксид бензоїлу; каталітичне розкладання; константи Міхаеліса; механізм реакції; метод ТПД МС; квантово-хімічні розрахунки; DFT-метод
• Онлайн доступ: https://www.cpts.com.ua/index.php/cpts/article/view/438
• Назва журналу: Chemistry, Physics and Technology of Surface

Stability of non-aqueous solutions and catalytic reaction of benzoyl peroxide (BP) decomposition by samples of carbon materials (CM) – apricot shell stone activated carbon KAU, its nitrogen- and oxygen-containing (N-KAU, O?KAU) modified forms, and enzyme catalase have been examined. It has been shown that catalytic activity of CMs, quantitatively estimated by Michaelis constants, is determined by the surface functional groups nature rather than by structural-sorption characteristics. The catalytic activity of nitrogen-containing CM in non-aqueous media is by an order of magnitude higher than that of enzyme catalase. Catalyst capability to decompose benzoyl peroxide decreases in a sequence  N–KAU > catalase > KAU > O-KAU. A comparative analysis of the experimental data with the results of quantum chemical calculations of the bond breaking energy in the BP molecule in different media, electronic structure of model carbon nanoclusters (CNC) and energy parameters of BP decomposition reaction has been carried out. It has been shown that the O-O bond is the weakest in BP molecule in spite of the media polarity. Free radical of BP (С6Н5-СОО•, BP•) more easily (both kinetically and thermodynamically) interacts with nitrogen-containing graphite-like plane model CNC as compared to pristine and oxygen-containing ones. The thermodynamic and kinetic characteristics of the interaction between BP? radical and CNC surfaces are determined by their electron donor capabilities (ionization potentials).