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Колесников, И. М.; Колесников, С. И.

doi:10.1023/a:1015658023015

Cited by 2 publications

(6 citation statements)

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“…According to the theory of catalysis by polyhedra,,, the active centres in the bismuth‐molybdenum oxide catalyst are the ensembles of the polyhedra {BiO 4 ⋅ MoO 4 }, {BiO 4 ⋅ MoO 6 } and the others with tetrahedrons in their composition.…”

Section: Resultsmentioning

confidence: 99%

“…This process occurs under control of kinetics. With the goal of creating a thermodynamic method of calculating the optimal composition of the bismuth-molybdenum catalyst, the following notation to analyse the process of redistribution of electrons between the tetrahedra can be applied: (9) In the ensemble of tetrahedrons of the oxide catalyst lattice, the redistribution of the electrons occurs according to the scheme (10) where K C is the equilibrium constant of the redistribution of electrons or charges between tetrahedron cations.…”

Section: Bismuth-molybdenum Catalystsmentioning

confidence: 99%

“…The activity of a solid catalyst in the transformation reactions of organic and inorganic compounds will considerably differ depending on its crystal modification. The theory of catalysis by polyhedrons explains the difference in activity of solid catalysts with various polyhedral structures ,,. This theory enables not only identification of the nature, composition and structure of an active polyhedron in the lattice of a solid catalyst but also calculation of the optimal catalyst composition, coinciding with the experimental data, using methods of thermodynamics, quantum chemistry, and differential and integral calculus.…”

Section: Introductionmentioning

confidence: 99%

“…The theory of catalysis by polyhedrons explains the difference in activity of solid catalysts with various polyhedral structures. [5,8,9] This theory enables not only identification of the nature, composition and structure of an active polyhedron in the lattice of a solid catalyst but also calculation of the optimal catalyst composition, coinciding with the experimental data, using methods of thermodynamics, quantum chemistry, and differential and integral calculus. Usually, the selection of catalysts for chemical reactions is performed either experimentally by examining different types of substances or on the theoretical data basis.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic Calculations to Determine the Optimal Composition of Oxide Catalysts

et al. 2018

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Thermodynamic calculations of the optimal compositions of oxide catalysts with different natures are performed based on the theory of catalysis by polyhedra. The obtained compositions of the active catalysts agree with experimental data. The electrostatic potential generated by polyhedra of metal-oxide catalysts in a variety of directions is calculated. The dependence of the sign and magnitude of the potential on the distance from the central metal ion towards the vertex of the polyhedron, the middle of its edge or the centre of the face is estimated. It is assumed that the magnitude of the potential can serve as a reference point for determining active centres, which produce adsorption complexes and intermediate compounds.

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Section: Resultsmentioning

confidence: 99%

Section: Bismuth-molybdenum Catalystsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermodynamic Calculations to Determine the Optimal Composition of Oxide Catalysts

et al. 2018

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“…The χ со maximum value reaches at 453 K on a solid solution CdSe 0,15 Te 0,85 (87%). It should be noted that for CO oxidation catalyst comprising manganese dioxide and lead dioxide 45% χ со is achieved at 473 K [8]; on chromic catalysts (comprising chromium, cobalt, zirconium and other metals oxides) 85% χ со is at 486 K [9].…”

Section: Catalytic Studiesmentioning

confidence: 99%

Comparative adsorption and catalytic properties of CDSE-CDTE system components in carbon oxide (II) oxidation reaction

Kirovskaya

Миронова

Bukashkina

2014

2014 Dynamics of Systems, Mechanisms and Machines (Dynamics)

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Comparative adsorption and catalytic CdSe, CdTe and (CdSe)x(CdTe)1-x solid solutions properties are examined on the example of the CO and its participants-reactants (CO, O2) oxidation. Similarities and differences in their behavior are revealed. Adsorption and catalytic studies results full correspondence is shown. Individual and joint mechanisms of the CO catalytic oxidation reactants adsorption is proposed. The most active catalyst, CdTe, working effectively at ambient temperature, is discovered which allowes to recommend it for CO neutralization at greatly reduced energy costs.Adsorbtive catalysts were powders (Ssp = 0,405-0,91 m 2 /g) CdSe, CdTe and substitutional solid solutions (CdSe) x (CdTe) 1-x (x = 0,15; 0,25; 0,5; 0,75; 0,85 mol. % CdSe), obtained by isothermal diffusion in binary components mutual solubility areas [1].Adsorption was studied by volumetric, piezo-quartz microweighting (1,23⋅10 -11 g/(sm 2 Gts sensitivness to) with 258 -477 K temperature range and 6 -18 Pa pressure and IR-spectroscopy [2].Catalytic studies were performed on a flow-circulation installation [2, 3], which is directly connected to the analysis system with the same values of contact time and partial pressures of the reactants under conditions excluding mass and heat transfer processe effect: T = 290 -474 K, P = 101 308 Pa, carrier gas circulation rate = 22-24 ml/min, impulse volume = 5 ml. Direct catalytic studies were supplemented by indirect IR spectroscopy and FITR methods.Gas argon was mostly used as the carrier (for comparison with the air). Reactant gases (CO, O 2 ) were obtained according to well-known methods [4] followed by chromatographic analysis. The reaction mixture was prepared at a ratio of CO: O 2 = 1: 2. The initial CO content is (1,68-2,9) -5 mole.The specific catalytic activity was assessed by the specific rate at given temperatures and reaction mixture composition. The reaction course was judged by CO, O2 decrease and CO 2 increase which was determined chromatographically and with IR spectrophotometer method on "InfraLUM FT-02".

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Cited by 2 publications

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Thermodynamic Calculations to Determine the Optimal Composition of Oxide Catalysts

Thermodynamic Calculations to Determine the Optimal Composition of Oxide Catalysts

Comparative adsorption and catalytic properties of CDSE-CDTE system components in carbon oxide (II) oxidation reaction

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