Моделювання оксидації чадного газу на поверхні платинового каталізатора у двовимірному випадку: Fìz.-mat. model. ìnf. tehnol. 2017, 26:83-89

• Date: 2018
• Main Author: Ryzha, Iryna
• Format: Article
• Language: Ukrainian
• Published: Інститут прикладних проблем механіки і математики ім. Я. С. Підстригача НАН України 2018
• Subjects: каталітична реакція окислення; реакційно-дифузійна модель; математичне моделювання реакційно-дифузійних процесів
• Online Access: https://www.fmmit.lviv.ua/index.php/fmmit/article/view/18
• Journal Title: Physico-mathematical modeling and informational technologies

A two-dimensional model of carbon monoxide (CO) catalytic oxidation on a platinum (Pt) surface for the Langmuir-Hinshelwood mechanism is investigated. The adsorbate-driven (1×1)-(1×2) structural phase transition of Pt(110) and the formation of new crystal planes on the catalytic surface (faceting) as well as the effect of the substrate temperature are taken into account. It is shown that the stability region for CO oxidation reaction changes when two dimensions are taken into account. Similarly to the one-dimensional case, the reaction of CO oxidation on Pt-catalyst surface is periodic in the stability region. Mixed-mode oscillations (MMO) for CO and oxygen (O) surface coverages as well as the fraction of the surface in the non-reconstructed (1×1)-state were found. Such behavior cannot be predicted by one-dimensional models when the equation for the change of degree of faceting is not taken into account. References Zaikin, A. N., Zhabotinsky, A. M. (1970). Concentration wave propagation in two-dimensional liquid-phase self-oscillating system. Nature, 225, 535-537. DOI https://doi.org/10.1038/225535b0 Rotermund, H. H., Engel, W., Kordesch, M., Ertl, G. (1990). Imaging of spatiotemporal pattern evolution during carbon monoxide oxidation on platinum. Nature, 343, 355-357. DOI https://doi.org/10.1038/343355a0 DOI Jakubith, S., Rotermund, H. H., Engel, W., von Oertzen, A., Ertl, G. (1990). Spatiotemporal concentration patterns in a surface reaction: Propagating and standing waves, rotating spirals, and turbulence. Phys. Rev. Lett., 65, 3013-3016. DOI https://doi.org/10.1103/PhysRevLett.65.3013 Nettesheim, S., von Oertzen, A., Rotermund, H. H., Ertl, G. (). Reaction diffusion patterns in the catalytic CO oxidation on Pt(110): Front propagation and spiral waves. J. Chem. Phys., 98, 9977-9985. DOI https://doi.org/10.1063/1.464323 Kim, M., Bertram, M., Pollmann, M., von Oertzen, A., Mikhailov, A. S., Rotermund, H. H., Ertl, G. (2001). Controlling chemical turbulence by global delayed feedback: Pattern formation in catalytic CO oxidation on Pt(110). Science, 292, 1357-1360. DOI https://doi.org/10.1126/science.1059478 Wolff, J., Papathanasiou, A. G., Kevrekidis, I. G., Rotermund, H. H., Ertl, G. (2001). Spatiotemporal addressing of surface activity. Science, 294, 134-137. Slinko, M. M., Jaeger, N. I. (1994). Oscillating heterogeneous catalytic systems (Studies in surface science and catalysis).Amsterdam: Elsevier. Baxter, R. J., Hu, P. (2002). Insight into why the Langmuir-Hinshelwood mechanism is generally preferred. J. Chem. Phys., 116(11), 4379-4381. DOI https://doi.org/10.1063/1.1458938 Gomer, R. (1990). Diffusion of adsorbates on metal surfaces. Rep. Prog. Phys., 53(7), 917-1002. DOI https://doi.org/10.1088/0034-4885/53/7/002 Kellogg, G. L. (1985). Direct observations of the (1×2) surface reconstruction on the Pt(110) plane. Phys. Rev. Lett., 55, 2168-2171. DOI https://doi.org/10.1103/PhysRevLett.55.2168 Gritsch, T., Coulman, D., Behm, R. J., Ertl, G. (1989). Mechanism of the CO-induced (1×2)-(1×1) structural transformation of Pt(110). Phys. Rev. Lett., 63, 1086-1089. DOI https://doi.org/10.1103/PhysRevLett.63.1086 Ladas, S., Imbihl, R., Ertl, G. (1988). Kinetic oscillations and facetting during the catalytic CO oxidation. Surf. Sci., 198, 42-68. DOI https://doi.org/10.1016/0039-6028(88)90471-2 Kostrobij, P. P., Ryzha, I. A. (2016). Modeling of carbon monoxide oxidation process on the twodimensional catalyst surface. Math. Model. Comput., 3(2), 146-162. DOI https://doi.org/10.23939/mmc2016.02.146 Shtiller, V. (2000). Uravnenie Arreniusa i neravnovesnaya kinetika. M.: Mir. Cisternas, Y., Holmes, P., Kevrekidis, I. G., Li, X. (2003). CO oxidation on thin Pt crystals: Temperature slaving and the derivation of lumped models. J. Chem. Phys., 118(7), 3312-3328. DOI https://doi.org/10.1063/1.1531070 Krischer, K., Eiswirth, M., Ertl, G. (1992). Oscillatory CO oxidation on Pt(110): Modeling of temporal selforganization. J. Chem. Phys., 96, 9161-9172. DOI https://doi.org/10.1063/1.462226 Bzovska, I. S., Mryhlod, I. M. (2016). Poverkhnevi struktury v katalitychnii reaktsii monooksydu vuhletsiu. Ukr. fiz. zhurn., 61(2), 140-148. Eiswirth, M., Krischer, K., Ertl, G. Nonlinear dynamics in the CO-oxidation on Pt single crystal surfaces. Appl. Phys. A., 51, 79-90. DOI https://doi.org/10.1007/bf00324269