Understanding the Reaction Dynamics on Heterogeneous Catalysts Using a Simple Stochastic Approach

Author(s):  
Bhawakshi Punia ◽  
Srabanti Chaudhury ◽  
A. B. Kolomeisky
Author(s):  
Alexis T. Bell

Heterogeneous catalysts, used in industry for the production of fuels and chemicals, are microporous solids characterized by a high internal surface area. The catalyticly active sites may occur at the surface of the bulk solid or of small crystallites deposited on a porous support. An example of the former case would be a zeolite, and of the latter, a supported metal catalyst. Since the activity and selectivity of a catalyst are known to be a function of surface composition and structure, it is highly desirable to characterize catalyst surfaces with atomic scale resolution. Where the active phase is dispersed on a support, it is also important to know the dispersion of the deposited phase, as well as its structural and compositional uniformity, the latter characteristics being particularly important in the case of multicomponent catalysts. Knowledge of the pore size and shape is also important, since these can influence the transport of reactants and products through a catalyst and the dynamics of catalyst deactivation.


Author(s):  
A. K. Datye ◽  
D. S. Kalakkad ◽  
L. F. Allard ◽  
E. Völkl

The active phase in heterogeneous catalysts consists of nanometer-sized metal or oxide particles dispersed within the tortuous pore structure of a high surface area matrix. Such catalysts are extensively used for controlling emissions from automobile exhausts or in industrial processes such as the refining of crude oil to produce gasoline. The morphology of these nano-particles is of great interest to catalytic chemists since it affects the activity and selectivity for a class of reactions known as structure-sensitive reactions. In this paper, we describe some of the challenges in the study of heterogeneous catalysts, and provide examples of how electron holography can help in extracting details of particle structure and morphology on an atomic scale.Conventional high-resolution TEM imaging methods permit the image intensity to be recorded, but the phase information in the complex image wave is lost. However, it is the phase information which is sensitive at the atomic scale to changes in specimen thickness and composition, and thus analysis of the phase image can yield important information on morphological details at the nanometer level.


Author(s):  
P.A. Crozier ◽  
M. Pan

Heterogeneous catalysts can be of varying complexity ranging from single or double phase systems to complicated mixtures of metals and oxides with additives to help promote chemical reactions, extend the life of the catalysts, prevent poisoning etc. Although catalysis occurs on the surface of most systems, detailed descriptions of the microstructure and chemistry of catalysts can be helpful for developing an understanding of the mechanism by which a catalyst facilitates a reaction. Recent years have seen continued development and improvement of various TEM, STEM and AEM techniques for yielding information on the structure and chemistry of catalysts on the nanometer scale. Here we review some quantitative approaches to catalyst characterization that have resulted from new developments in instrumentation.HREM has been used to examine structural features of catalysts often by employing profile imaging techniques to study atomic details on the surface. Digital recording techniques employing slow-scan CCD cameras have facilitated the use of low-dose imaging in zeolite structure analysis and electron crystallography. Fig. la shows a low-dose image from SSZ-33 zeolite revealing the presence of a stacking fault.


1991 ◽  
Vol 174 (Part_2) ◽  
pp. 225-225
Author(s):  
Wolfgang Schirmer

2020 ◽  
pp. 1-18
Author(s):  
Yu.V. Bilokopytov ◽  
◽  
S.L. Melnykova ◽  
N.Yu. Khimach ◽  
◽  
...  

CO2 is a harmful greenhouse gas, a product of chemical emissions, the combustion of fossil fuels and car exhausts, and it is a widely available source of carbon. The review considers various ways of hydrogenation of carbon dioxide into components of motor fuels - methanol, dimethyl ether, ethanol, hydrocarbons - in the presence of heterogeneous catalysts. At each route of conversion of CO2 (into oxygenates or hydrocarbons) the first stage is the formation of CO by the reverse water gas shift (rWGS) reaction, which must be taken into account when catalysts of process are choosing. The influence of chemical nature, specific surface area, particle size and interaction between catalyst components, as well as the method of its production on the CO2 conversion processes is analyzed. It is noted that the main active components of CO2 conversion into methanol are copper atoms and ions which interact with the oxide components of the catalyst. There is a positive effect of other metals oxides additives with strong basic centers on the surface on the activity of the traditional copper-zinc-aluminum oxide catalyst for the synthesis of methanol from the synthesis gas. The most active catalysts for the synthesis of DME from CO2 and H2 are bifunctional. These catalysts contain both a methanol synthesis catalyst and a dehydrating component, such as mesoporous zeolites with acid centers of weak and medium strength, evenly distributed on the surface. The synthesis of gasoline hydrocarbons (≥ C5) is carried out through the formation of CO or CH3OH and DME as intermediates on multifunctional catalysts, which also contain zeolites. Hydrogenation of CO2 into ethanol can be considered as an alternative to the synthesis of ethanol through the hydration of ethylene. High activation energy of carbon dioxide, harsh synthesis conditions as well as high selectivity for hydrocarbons, in particular methane remains the main problems. Further increase of selectivity and efficiency of carbon dioxide hydrogenation processes involves the use of nanocatalysts taking into account the mechanism of CO2 conversion reactions, development of methods for removing excess water as a by-product from the reaction zone and increasing catalyst stability over time.


1996 ◽  
Vol 6 (2) ◽  
pp. 211-225 ◽  
Author(s):  
Keh-Chin Chang ◽  
Wen-Jing Wu ◽  
Muh-Rong Wang

2020 ◽  
Vol 4 (97) ◽  
pp. 69-76
Author(s):  
IGOR N. SILVERSTOV

A stochastic approach has been developed to evaluate fatigue strength using elements of the fracture mechanics. The article presents a method for determining the initial parameters of statistical distributions. It also considers the method for constructing a fatigue curve for a component of any size and configuration with any given probability of failure.


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