Mathematical Modeling of a Self-Oscillating Catalytic Reaction in a Flow Reactor

IF 1.3 4区 化学 Q4 CHEMISTRY, PHYSICAL
N. V. Peskov, M. M. Slinko
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引用次数: 0

Abstract

The article is devoted to the analysis of possible spatiotemporal kinetic structures that can arise during catalytic oxidation reactions on metal surfaces at atmospheric pressure. The catalytic oscillatory reaction in a flow reactor is modeled using a 1D system of equations of the reaction–diffusion–convection type. The STM type oscillatory reaction model of catalytic oxidation is used as a kinetic model. The obtained results of mathematical modeling show the decisive influence of an axial mixing in the reactor on the development of spatiotemporal structures. It is also shown that, depending on the ratio of adsorption rates of reacting species, three different isothermal spatiotemporal structures can arise, namely a spatially inhomogeneous stationary state, regular and aperiodic “breathing structures”.

Abstract Image

流动反应器中自振荡催化反应的数学建模
摘要 本文致力于分析常压下金属表面催化氧化反应过程中可能出现的时空动力学结构。使用反应-扩散-对流类型的一维方程系统对流动反应器中的催化振荡反应进行建模。催化氧化的 STM 型振荡反应模型被用作动力学模型。数学建模的结果表明,反应器中的轴向混合对时空结构的发展具有决定性影响。研究还表明,根据反应物的吸附速率比,可以产生三种不同的等温时空结构,即空间不均匀静止状态、规则和非周期性 "呼吸结构"。
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来源期刊
Kinetics and Catalysis
Kinetics and Catalysis 化学-物理化学
CiteScore
2.10
自引率
27.30%
发文量
64
审稿时长
6-12 weeks
期刊介绍: Kinetics and Catalysis Russian is a periodical that publishes theoretical and experimental works on homogeneous and heterogeneous kinetics and catalysis. Other topics include the mechanism and kinetics of noncatalytic processes in gaseous, liquid, and solid phases, quantum chemical calculations in kinetics and catalysis, methods of studying catalytic processes and catalysts, the chemistry of catalysts and adsorbent surfaces, the structure and physicochemical properties of catalysts, preparation and poisoning of catalysts, macrokinetics, and computer simulations in catalysis. The journal also publishes review articles on contemporary problems in kinetics and catalysis. The journal welcomes manuscripts from all countries in the English or Russian language.
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