Mathematical Modeling of the Process of Oxidation of Dispersed Aluminum by Water
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TICS AND MECHANISM OF CHEMICAL REACTIONS, CATALYSIS
Mathematical Modeling of the Process of Oxidation of Dispersed Aluminum by Water N. S. Shaituraa, * and M. N. Laricheva aTalrose
Institute of Energy Problems of Chemical Physics, Semyonov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Moscow, Russia *e-mail: [email protected] Received June 19, 2019; revised July 11, 2019; accepted July 22, 2019
Abstract—The notable interest in the practical use of the process of oxidation of dispersed aluminum by water as a source of hydrogen gas for the needs of hydrogen energy requires not only an understanding of the mechanism of the process but also the capability of its mathematical modeling. In the present work, such a modeling was performed based on the results of an experimental study of the kinetics and mechanism of the oxidation of dispersed aluminum by water carried out earlier by the authors. A model of the oxidation process is proposed; effective activation energies of the processes occurring during the oxidation of aluminum are found. The resulting model made it possible not only to predict the rate of aluminum oxidation by water in the temperature range 50–100°C but also to clarify the mechanism of the process. Keywords: Al oxidation, hydrogen, hydrogen energy, aluminum hydroxide, mathematical modeling DOI: 10.1134/S1990793120050103
INTRODUCTION The process of oxidizing metallic aluminum by water has attracted the attention of researchers in many ways as a promising source of hydrogen gas for the needs of hydrogen energy [1]. The study of various aspects of this process is the subject of a significant amount of work carried out in leading scientific centers in many countries of the world [2–6]. The mechanism of the process of low-temperature (up to 100°C) oxidation of dispersed Al by water was studied in the work [6] published by the authors of this study. Such low-temperature oxidation of Al seems to be safest for the consumer, easy to implement, and can be recommended for use in the design of energy devices of a wide profile. The aim of this work is to carry out the mathematical modeling of the process of low-temperature oxidation of aluminum by water to assess the capability of the calculations when planning experiments and designing the experimental equipment. Modeling was carried out using the experimental data obtained in [6] and the mechanism of the oxidation process established in this work. EXPERIMENTAL This paper investigates the oxidation by distilled water of a dispersed aluminum powder of the ASD-4 brand (TU 48-5-226-87) with the average spherical particle size of about 4 microns, which is serially pro-
duced in Russia. To simulate the process of low-temperature oxidation, we used the experimental data obtained in [6], as well as the equipment and experimental technique described in [6, 7]. The kinetic curves of the rate of hydrogen evolution were recorded at a constant temperature (in the isothermal mode). During the experiment, the temperature in the reactor was kept cons
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