Micro-kinetic Modeling as a Tool Towards Better Understanding of Hydrocarbon Cracking Chemistry Over Zeolite Catalysts PDF Download
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Author: Nitin Agarwal
Publisher:
ISBN:
Category : Actors
Languages : en
Pages : 354
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Book Description
Author: Nitin Agarwal
Publisher:
ISBN:
Category : Actors
Languages : en
Pages : 354
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Book Description
Author: J. A. Dumesic
Publisher: Wiley-VCH
ISBN:
Category : Language Arts & Disciplines
Languages : en
Pages : 340
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Book Description
Defines the emerging field of catalytic reaction synthesis in the search for new catalysts and catalytic processes. Illustrates how experimental data from diverse sources can be consolidated to form a quantitative description of the essential chemistry taking place on the catalyst surface. Elucidates the possible relationships between catalyst kinetic properties and surface chemical bonding properties. Offers examples of microkinetic analysis and catalytic reaction synthesis for a variety of catalytic reactions over metals, oxides, and zeolite catalysts. Illustrates the underlying strategy used to formulate a microkinetic model, calibrate the model to the existing experimental data, and assess the critical aspects of the essential surface chemistry involved in the catalytic process.
Author: Pascal Granger
Publisher: MDPI
ISBN: 303921179X
Category : Technology & Engineering
Languages : en
Pages : 214
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Book Description
Kinetics and reactor modeling for heterogeneous catalytic reactions are prominent tools for investigating and understanding catalyst functionalities at nanoscale and the related rates of complex reaction networks. This book illustrates some examples related to the transformation of simple to more complex feedstocks, including different types of reactor designs, i.e., steady-state, transient plug flow reactors, and TAP reactors for which there is sometimes a strong gap in the operating conditions from ultra-high-vacuum to high-pressure conditions. In conjunction, new methodologies have emerged, giving rise to more robust microkinetics models. As exemplified, they include the kinetics and the dynamics of the reactors and span a large range of length and time scales. The objective of this Special Issue is to provide contributions that can illustrate recent advances and novel methodologies for elucidating the kinetics of heterogeneous reactions and the necessary multiscale approach for optimizing the reactor design. This book is dedicated to postgraduate and scientific researchers, and experts in heterogeneous catalysis. It may also serve as a source of original information for the elaboration of lessons on catalysis for Master students.
Author: Mingxia Zhou
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Efficient and selective catalysis lies at the heart of many chemical reactions, enabling the synthesis of chemicals and fuels with enormous societal and technological impact. A fundamental understanding of intrinsic catalyst properties for effective manipulation of the reactivity and selectivity of industrial catalysts is essential to select proper catalysts to catalyze the reactions we want and hinder the reactions we do not want. The progress in density functional theory (DFT) makes it possible to describe interfacial catalytic reactions and predict catalytic activities from one catalyst to another. In this study, water-gas shift reaction (WGSR) was used as a model reaction. First-principles based micro-kinetic modeling has been performed to deeply understand interactions between competing reaction mechanisms, and the relationship with various factors such as catalyst materials, structures, promoters, and interactions between intermediates (e.g., CO self-interaction) that govern the observed catalytic behaviors. Overall, in this thesis, all relevant reaction mechanisms in the model reaction on well-defined active sites were developed with first-principles calculations. With the established mechanism, the promotional effect of K adatom on Ni(111) on WGSR compared to the competing methanation was understood. Moreover, the WGSR kinetic trend, with the hydrogen production rate decreasing with increasing Ni particle diameters (due to the decreasing fractions of low-coordinated surface Ni site), was reproduced conveniently from micro-kinetic modeling techniques. Empirical correlations such as Brønsted-Evans-Polanyi (BEP) relationship for O-H, and C-O bond formation or cleavage on Ni(111), Ni(100), and Ni(211) were incorporated to accelerate computational analysis and generate trends on other transition metals (e.g., Cu, Au, Pt). To improve the numerical quality of micro-kinetic modeling, later interactions of main surface reaction intermediates were proven to be critical and incorporated successfully into the kinetic models. Finally, evidence of support playing a role in the enhancement of catalyst activity and the impact on future modeling will be discussed. DFT will be a powerful tool for understanding and even predicting catalyst performance and is shaping our approach to catalysis research. Such molecular-level information obtained from computational methods will undoubtedly guide the design of new catalyst materials with high precision.
Author:
Publisher: Elsevier
ISBN: 0080548512
Category : Technology & Engineering
Languages : en
Pages : 357
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Book Description
Since 1987, the Petroleum Division of the American Chemical Society (ACS) has sponsored at 3 year intervals an international symposium on fluid cracking catalysts (FCC) technology. This volume collects the recent progress of this technology as reported in the papers presented during the 232th National Meeting of the ACS in San Francisco, September 10-14, 2006.Sixty-six years after the introduction of the fluid cracking catalyst process, it remains the main process of gasoline generation for the estimated 237 millions cars on US roads. Catalysts testing and evaluation still remains a subject of interest, debate and controversy. Lambda sweep testing, testing of SOx, NOx and combustion promoters have been discussed in details together with catalyst evaluation for atmospheric residues and metal contaminated oils cracking.Of particular interest has been the introduction of novel concept in process design aimed at improving cracked product selectivity such as two-stage risers for better gasoline and olefins production and downer technology for high severity processes . The importance of solid state nuclear magnetic resonance (NMR) in the study of crude oils, catalysts and reaction products are illustrated by several examples. Two contributions describe the use of predictive methods to understand FCC aging and deactivationand personal overviews of the development of SOx and combustion promoters technology are presented.* Presents findings from the tri-annual international symposium on fluid cracking catalysts (FCC) technology, sponsored by the Petroleum Division of the American Chemical Society (ACS) * Two contributions describe the use of predictive methods to understand FCC aging and deactivation* Personal overviews by the authors of the development of SOx and combustion promoters technology
Author: Marco A. Sanchez-Castillo
Publisher:
ISBN:
Category :
Languages : en
Pages : 222
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Book Description
Author: Paul B. Venuto
Publisher: Marcel Dekker
ISBN:
Category : Science
Languages : en
Pages : 176
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Book Description
Author: Bashir Al-Zaidi
Publisher:
ISBN:
Category :
Languages : en
Pages : 322
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Book Description
Author: C.Richard A. Catlow
Publisher: Elsevier
ISBN: 0128050586
Category : Technology & Engineering
Languages : en
Pages : 372
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Book Description
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture. Authored and edited by experts in the field of micro- and meso-porous materials Includes introductory material and background both on the science of microporous materials and on the techniques employed in contemporary modeling studies Rigorous enough for scientists conducting related research, but also accessible to graduate students in chemistry, chemical engineering, and materials science
Author: University of Mississippi. Department of Chemical Engineering
Publisher:
ISBN:
Category : Catalytic cracking
Languages : en
Pages : 36
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Book Description
