МОДЕЛЬ МЕХАНІЗМУ КАТАЛІТИЧНИХ РЕАКЦИЙ ГЛИБОКОГО ОКИСЛЕННЯ ОКСИДУ ВУГЛЕЦЮ
Journal Title: Математичне моделювання - Year 2018, Vol 1, Issue 1
Abstract
MODEL OF THE MECHANISM CATALYTIC REACTIONS OF DEEP OXIDATION OF CARBON OXIDE Sereda B.P., Belokon K.V., Belokon Yu.A., Kruglyak I.V. Abstract Heterogeneous catalytic reactions are among the complex multistage processes. The most important, typical stages of the processes under consideration are: adsorption of reagents, surface chemical reaction, desorption of products. The rate of these stages depends on the surface concentrations of the reagents, which are not available for direct determination in ordinary kinetic experiments. The problem is to express the reaction rate as a function of the concentrations measured (or partial pressures) of substances in the gas phase. To solve the problem, it is necessary to know the nature of these dependencies. The purpose of the work is to establish the regularities of the mechanism of catalytic deep oxidation reactions on intermetallide Ni-Al catalysts and to determine their activation energy. The mathematical description of the speed of the catalytic process in the form of kinetic equations can be purely empirical, resulting only from kinetic measurements or justified simultaneously by other physicochemical methods. On the basis of the results of such complex studies, stage process diagrams arise, from which certain kinetic relationships follow. To calculate the mathematical model, experimental studies were carried out at various temperatures. Based on the experimental data c, the effective reaction rate constant and coefficient were calculated. The kinetic curve with which the activation energy of the oxidation reaction of propane on a leached intermetallic catalyst was determined was determined from the values of the effective reaction rate constant using the equation of the rate constant versus temperature. The kinetic characteristics of oxidation of carbon monoxide and propane on an intermetallic catalyst of the composition Ni-Co-Mn-Cu-Al are determined. On the basis of the modified model of Mars-Van Crevelin, effective reaction rate constants and activation energies were obtained. For the oxidation of carbon monoxide on a Ni-Al-Co-Mn-Cu catalyst, the activation energy is 37.2 kJ/mol, which is 1.4 times lower than the activation energy of Ni-Al alloys. Thus, the developed multicomponent catalyst has a lower effective activation energy of the reactions, and therefore it more efficiently oxidizes the carbon monoxide. References [1] Temkin M.I. Voprosy himicheskoj kinetiki, kataliza i reakcionnoj sposobnosti [Questions of chemical kinetics, catalysis and reactivity], Moscow: Izd-vo AN SSSR, 1955, 484 p. (in Russian). [2] Rozovsky A.Y. Kinetika topohimicheskih reakcij [Kinetics of topochemical reactions], Moscow: Himiya, 1974, 224 p. (in Russian). [3] Kiperman S.L. Osnovy himicheskoj kinetiki v geterogennom katalize [Fundamentals of chemical kinetics in heterogeneous catalysis], Moscow: Nauka, 1979, 359 p. (in Russian). [4] Boreskov G.K. Kataliz. Voprosy teorii i praktiki [Catalysis. Questions of theory and practice], Novosibirsk: Nauka, 1987, 540 p. (in Russian). [5] Sereda B.P., Kozhemyakin G.B., Ryzhkov V.G., Savela K.V., Belokon Y.A. Vliyanie sostava nikel'-alyuminievogo splava s dobavkami Co, Mn i Cu na strukturu i udel'nuyu aktivnost' katalizatora na ikh osnove [The effect of the composition of a nickel-aluminum alloy with Co, Mn and Cu additives on the structure and specific activity of a catalyst based on them]. Stroitel'stvo, materialovedenie, mashinostroenie: sb. nauch. trudov, 2009, no. 48, pp. 101-104 (in Russian). [6] Grigoryan E.A., Merzhanov A.G. Katalizatory ХХI veka [Catalysts of the XXI century]. Nauka proizvodstvu, 1998, no. 3 (5), pp. 30-41 (in Russian). [7] Sereda B.P., Kozhemyakin G.B., Savela K.V., Belokon Y.A., Ryzhkov V.G. Issledovanie vliyaniya fazovogo sostava Ni-Al splavov na fizikohimicheskie svoystva skeletnyih nikelevyih katalizatorovda [Investigation of the influence of the phase composition of Ni-Al alloys on the physicochemical properties of skeleton nickel catalysts], Metallurgiya, 2009, no. 20, pp. 112–117 (in Russian). [8] Sereda B., Belokon’ Y., Zherebtsov A. and Sereda D. “The researching and modeling of physical-chemical properties of Ni-base alloys in SHS conditions”, Materials Science and Technology, vol. 1, pp. 494–498, October 2012. (references) [9] Sereda B., Belokon Y., Belokon K., Sereda D. Issledovanie fiziko-mehanicheskih svoystv intermetallidnyih katalizatorov, poluchennyih v usloviyah SVS [Investigation of the physico-mechanical properties of intermetallic catalysts obtained under SHS conditions]. Metaloznavstvo ta termichna obrobka metaliv, 2015, no. 2 (69), pp. 19-23 (in Russian). [10] Sereda B., Sheyko S., Kruglyak I. and Belokon’ Y. “Application of activation of substrate by aluminium and copper for increase of adhesive durability of sheetings received in self-propagating high-temperature synthesis conditions”, 10th International Conference on the Science and Technology of Adhesion and Adhesives, Oxford, UK, pp. 437–439, 2008. [11] Krylov O.V. O mekhanizme glubokogo kataliticheskogo okisleniya uglevodorodov [On the mechanism of deep catalytic oxidation of hydrocarbons], Deep catalytic oxidation of hydrocarbons. Problems of kinetics and catalysis, 1981, Vol. 18, pp. 5-13. (in Russian). [12] Kozhemyakin G.B. and Belokon K.V. Issledovanie kinetiki i mekhanizma kataliticheskih reakcij glubokogo okisleniya oksida ugleroda i uglevodorodov [Investigation of the kinetics and mechanism of catalytic reactions of deep oxidation of carbon monoxide and hydrocarbons], Okhorona navkolishnogo sredovischa promislovi regionіv yak umova udalogo rozvitku Ukrainy: materіali VI Vseukr. Sciences-practical. Conf., (Zaporizhzhia, 2010), pp. 11-14. (in Russian). [13] Snagovsky Y.S. and Ostrovsky G.M. Modelirovanie kinetiki geterogennyh kataliticheskih processov [Modeling of kinetics of heterogeneous catalytic processes], Moscow: Himiya, 1976, 248 p. (in Russian). [14] Belokon K., Belokon Y., Kozhemyakin G. and Matukhno E. “Environmental assessment of the intermetallic catalysts utilization efficiency for deactivation of the pollutants emitted by electrode production enterprises”, Scientific bulletin of National Mining University, № 3 (153), pp. 87–94, 2016. [15] Belokon Y.A., Oginsky J.K., Belokon K.V., Zherebtsov A.A. Teoretychne ta eksperymentalne vyznachennia enerhii aktyvatsii utvorennia intermetalidiv u systemakh nikel-aliuminii ta tytan-aliuminii [Theoretical and experimental determination of the energy of activation of intermetallic formation in nickel-aluminum and titanium-aluminum systems], Metallurgy, no. 1 (37), 2017, pp. 81-85. (in Russian).
Authors and Affiliations
Б. П. Середа, К. В. Бєлоконь, Ю. О. Бєлоконь, І. В. Кругляк
Keywords
Related Articles
- EP ID EP294902
- DOI 10.31319/2519-8106.1(38)2018.129017
- Views 69
- Downloads 0
Построение подсистемы АСУ "Страж" по обнаружению эволюционирующих пустот в условиях карьера
BUILDING AUTOMATION SUBSYSTEM "GUARDIAN" TO DETECT EVOLVING VOIDS IN A CAREER Smolyan P.S., Kozikova T.C. Abstract Search void of technogenic and natural character is an urgent task of geophysics. Linked to this is an i...
Оптимизация технологии получения многокомпонентных покрытий на основе титана в условиях СВС
OPTIMIZATION OF TECHNOLOGY OF RECEIPT OF MULTICOMPONENT COVERINGS ON BASIS OF TITAN IN THE CONDITIONS OF SHS. Sereda B.P., Palekhova I.V., Kruglyak I.V. Abstract One of effective methods of chemical - thermal treatment...
Математическое моделирование процесса принятия решений с учетом уровня компетентности менеджера проекта
MATHEMATICAL MODELING OF THE DECISION-MAKING PROCESS TAKING INTO ACCOUNT THE LEVEL OF COMPETENCE OF THE PROJECT MANAGER A.I. Mazurkevich, V.U. Hrygorenko, S.V. Antonenko Abstract According to the research of the Associa...
Моделювання термодинамічного процесу в технології силікатів
MODELING OF THERMODYNAMIC PROCESS IN SILICATE TECHNOLOGIES Solodka N.O., Sigunov O.O., Aleksyeyev D.A. Abstract The study of new processes of chemical technology is impossible without a prior thermodynamic analysis and...
МАТЕМАТИЧНЕ МОДЕЛЮВАННЯ СТУПЕНІ ЗНОСУ ПОВЕРХНЕВОГО ШАРУ ДЕТАЛЕЙ В ЗАЛЕЖНОСТІ ВІД РЕЖИМІВ НАВАНТАЖЕННЯ
MATHEMATICAL MODELING OF STEPS OF THE SURFACE LOAD OF DETAILS IN DEPENDENCE FROM LOAD MODES Chernet O.G., Sukhomlin V.I., Voloshchuk R.G. Abstract Methods of obtaining wear-resistant coatings are considered in this wor...