Adaptive technology for constructing the kinetic equations of reduction reactions under conditions of a priori uncertainty

Keywords: reaction system, system state, recovery process, adaptive algorithm, canonical transformation of the kinetic equation

Abstract

The object of research is the process of oxide reduction in a reaction system of mass m due to the reaction on a contact surface with an area of S.

An adaptive technology is proposed that allows one to construct the kinetic equation of the process in which the oxide is reduced from the initial product under conditions of a priori uncertainty. A priori uncertainty regarding the behavior of a physicochemical system is understood as the fact that the following information is not available to the researcher:

– about the change in the mass of the reaction system and the area of the contact surface;

– about the rate of accumulation of the finished product;

– about the time of withdrawal of the finished product from the system.

The proposed adaptive technology includes five sequential stages to eliminate a priori uncertainty. This is ensured through the use of an adaptive algorithm, which allows obtaining the maximum accuracy in estimating the output variable by selecting the optimal parameter of the adaptive algorithm, and the subsequent canonical transformation. The introduced concept "canonical transformation of the kinetic equation" has the following meaning: having received some adequate description of the kinetic equation in a Cartesian coordinate system, a transformation is carried out that allow representing the equation in a new Cartesian coordinate system in such a way that its structure corresponds to the canonical form. The basic postulate of chemical kinetics can be such a canonical type.

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References

Khichar M., Thynell, S. T. (2021). A reduced mechanism with optimal rate-kinetics parameters for liquid-phase decomposition of bis(triaminoguanidinium) 5,5'-azotetrazolate (TAGzT): Quantum chemical calculations, thermolysis experiments and kinetic modeling. Thermochimica Acta, 699, 178895. doi: http://doi.org/10.1016/j.tca.2021.178895

Chen, S., Qin, C., Yin, J., Zhou, X., Chen, S., Ran, J. (2021). Understanding sulfation effect on the kinetics of carbonation reaction in calcium looping for CO2 capture. Fuel Processing Technology, 221, 106913. doi: http://doi.org/10.1016/j.fuproc.2021.106913

Gugumus, F. (2006). Physico-chemical aspects of polyethylene processing in an open mixer. Part 26: Formal kinetics of aldehyde and carboxylic acid formation at a constant rate. Polymer Degradation and Stability, 91 (11), 2698–2714. doi: http://doi.org/10.1016/j.polymdegradstab.2006.04.021

Gao, X., Jiang, L., Xu, Q., Wu, W.-Q., Mensah, R. A. (2020). Thermal kinetics and reactive mechanism of cellulose nitrate decomposition by traditional multi kinetics and modeling calculation under isothermal and non-isothermal conditions. Industrial Crops and Products, 145, 112085. doi: http://doi.org/10.1016/j.indcrop.2020.112085

Marceaux dit Clément, A., Hoummada, K., Drillet, J., Hébert, V., Maugis, P. (2020). Effects of cementite size and chemistry on the kinetics of austenite formation during heating of a high-formability steel. Computational Materials Science, 182, 109786. doi: http://doi.org/10.1016/j.commatsci.2020.109786

Plikusiene, I., Maciulis, V., Ramanaviciene, A., Balevicius, Z., Buzavaite-Verteliene, E., Ciplys, E. et. al. (2021). Evaluation of kinetics and thermodynamics of interaction between immobilized SARS-CoV-2 nucleoprotein and specific antibodies by total internal reflection ellipsometry. Journal of Colloid and Interface Science, 594, 195–203. doi: http://doi.org/10.1016/j.jcis.2021.02.100

Salmi, T., Russo, V., Freites Aguilera, A. (2021). Modelling of the interaction of kinetics and external transport phenomena in structured catalysts: The effect of reaction kinetics, mass transfer and channel size distribution in solid foams. Chemical Engineering Science, 244, 116815. doi: http://doi.org/10.1016/j.ces.2021.116815

Vaziri Hassas, B., Kouachi, S., Eskanlou, A., Bouhenguel, M., Çelik, M. S., Miller, J. D. (2021). The significance of positive and negative inertial forces in Particle-Bubble interaction and their role in the general flotation kinetics model. Minerals Engineering, 170, 107006. doi: http://doi.org/10.1016/j.mineng.2021.107006

Rozanov, L. N. (2021). Kinetic equations of non-localized physical adsorption in vacuum for Freundlich adsorption isotherm. Vacuum, 189, 110267. doi: http://doi.org/10.1016/j.vacuum.2021.110267

Leite, V. B., Kalempa, D., Graur, I. (2021). Kinetic modelling of evaporation and condensation phenomena around a spherical droplet. International Journal of Heat and Mass Transfer, 166, 120719. doi: http://doi.org/10.1016/j.ijheatmasstransfer.2020.120719

Gugumus, F. (2007). Physico-chemical aspects of polyethylene processing in an open mixer. Part 30: Formal kinetics of γ-lactone formation at a constant rate. Polymer Degradation and Stability, 92 (1), 158–175. doi: http://doi.org/10.1016/j.polymdegradstab.2006.09.010

Ma, S., Yang, M., Pang, S., Zhang, Y. (2021). Subsecond measurement on deliquescence kinetics of aerosol particles: Observation of partial dissolution and calculation of dissolution rates. Chemosphere, 264, 128507. doi: http://doi.org/10.1016/j.chemosphere.2020.128507

Sanches-Neto, F. O., Ramos, B., Lastre-Acosta, A. M., Teixeira, A. C. S. C., Carvalho-Silva, V. H. (2021). Aqueous picloram degradation by hydroxyl radicals: Unveiling mechanism, kinetics, and ecotoxicity through experimental and theoretical approaches. Chemosphere, 278, 130401. doi: http://doi.org/10.1016/j.chemosphere.2021.130401

Peng, J., Zhang, W., Zheng, M., Hu, H., Xiao, Y., Liu, Y., Liang, Y. (2021). Propelling electrochemical kinetics of transition metal oxide for high-rate lithium-ion battery through in situ deoxidation. Journal of Colloid and Interface Science, 587, 590–596. doi: http://doi.org/10.1016/j.jcis.2020.11.016

Hartman, K., Leckiy, E., Shefer, V. et. al. (1997). Planirovanie ehksperimenta v issledovanii tekhnologicheskih processov. Moscow: Mir, 552.

Demin, D. (2020). Constructing the parametric failure function of the temperature control system of induction crucible furnaces. EUREKA: Physics and Engineering, 6, 19–32. doi: http://doi.org/10.21303/2461-4262.2020.001489

Demin D. A. (2014). Mathematical description typification in the problems of synthesis of optimal controller of foundry technological parameters. Eastern-European Journal of Enterprise Technologies, 1 (4 (67)), 43–56. doi: http://doi.org/10.15587/1729-4061.2014.21203

Demin, D. A. (2012). Synthesis of optimal temperature regulator of electroarc holding furnace bath. Naukovyi Visnyk Natsion-alnoho Hirnychoho Universytetu, 6, 52–58.


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Published
2021-07-23
How to Cite
Demin, D., & Domin, O. (2021). Adaptive technology for constructing the kinetic equations of reduction reactions under conditions of a priori uncertainty. EUREKA: Physics and Engineering, (4), 14-29. https://doi.org/10.21303/2461-4262.2021.001959
Section
Chemistry