Dynamic Heterogeneous Catalysis

Nanoparticles in Catalysis Discover an essential overview of recent advances and trends in nanoparticle catalysis Catalysis in the presence of metal nanoparticles is an important and rapidly developing research field at the frontier of homogeneous and heterogeneous catalysis. In Nanoparticles in Catalysis, accomplished chemists and authors Karine Philippot and Alain Roucoux deliver a comprehensive guide to the key aspects of nanoparticle catalysis, ranging from synthesis, activation methodology, characterization, and theoretical modeling, to application in important catalytic reactions, like hydrogen production and biomass conversion. The book offers readers a review of modern and efficient tools for the synthesis of nanoparticles in solution or onto supports. It emphasizes the application of metal nanoparticles in important catalytic reactions and includes chapters on activation methodology and supported nanoclusters. Written by an international team of leading voices in the field, Nanoparticles in Catalysis is an indispensable resource for researchers and professionals in academia and industry alike. Readers will also benefit from the inclusion of: A thorough introduction to New Trends in the Design of Metal Nanoparticles and Derived Nanomaterials for Catalysis An exploration of Dynamic Catalysis and the Interface Between Molecular and Heterogeneous Catalysts A practical discussion of Metal Nanoparticles in Water: A Relevant Toolbox for Green Catalysis Organometallic Metal Nanoparticles for Catalysis A concise treatment of the opportunities and challenges of CO2 Hydrogenation to Oxygenated Chemicals Over Supported Nanoparticle Catalysts Perfect for catalytic, organic, inorganic, and physical chemists, Nanoparticles in Catalysis will also earn a place in the libraries of chemists working with organometallics and materials scientists seeking a one-stop resource with expert knowledge on the synthesis and characterization of nanoparticle catalysis.

Many processes of the chemical industry are based upon heterogeneous catalysis. Two important items of these processes are the development of the catalyst itself and the design and optimization of the reactor. Both aspects would benefit from rigorous and accurate kinetic modeling, based upon information on the working catalyst gained from classical steady state experimentation, but also from studies using surface science techniques, from quantum chemical calculations providing more insight into possible reaction pathways and from transient experimentation dealing with reactions and reactors. This information is seldom combined into a kinetic model and into a quantitative description of the process. Generally the catalytic aspects are dealt with by chemists and by physicists, while the chemical engineers are called upon for mechanical aspects of the reactor design and its control. The symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis" aims at illustrating a more global and concerted approach through a number of prestigious keynote lectures and severely screened oral and poster presentations.

Heterogeneous catalysis is a key element in a global energy strategy that enables a lower energy route for the many chemical reactions essential to food production, fuels, pharmaceuticals, and other essential materials in our everyday lives. Modeling catalytic systems can inform the design of experiments, identify catalyst properties that optimize quantities-of-interest (QoI) for the discovery of new catalysts, and link catalyst properties to commercial reactor design. A comprehensive understanding of these reactions, achieved through multiscale modeling, is a vital step in establishing viable commercial processes. Additionally, a thorough understanding of the key elements comprising an effective model, efficiently and accurately parameterizing the model, and properly understanding and accounting for parametric uncertainty in models are essential for maximizing and quantifying the models' predictive ability.

Plasma catalysis is gaining increasing interest for various gas conversion applications, such as CO2 conversion into value-added chemicals and fuels, N2 fixation for the synthesis of NH3 or NOx, methane conversion into higher hydrocarbons or oxygenates. It is also widely used for air pollution control (e.g., VOC remediation). Plasma catalysis allows thermodynamically difficult reactions to proceed at ambient pressure and temperature, due to activation of the gas molecules by energetic electrons created in the plasma. However, plasma is very reactive but not selective, and thus a catalyst is needed to improve the selectivity. In spite of the growing interest in plasma catalysis, the underlying mechanisms of the (possible) synergy between plasma and catalyst are not yet fully understood. Indeed, plasma catalysis is quite complicated, as the plasma will affect the catalyst and vice versa. Moreover, due to the reactive plasma environment, the most suitable catalysts will probably be different from thermal catalysts. More research is needed to better understand the plasma–catalyst interactions, in order to further improve the applications.

Catalysis is one of the most important technologies in the industrial world, controlling more than 90% of industrial chemical processes and essential for large-scale production of plastics and fuel. Exploring the most common type of catalysis used in industry, Electron Microscopy in Heterogeneous Catalysis provides a coherent account of heterogeneo

Providing a concise treatment of methods of heterogeneous catalysis used in the laboratory, this book describes the basic phenomena of heterogeneous catalytic reaction systems and discusses in detail the experimental methods and procedures for investigating these systems. The introductory chapter illustrates the whole procedure with an actual example. The next chapter presents the basic phenomena of catalytic systems and the concepts used in studying them. The third chapter covers the description of methods for investigating reaction mechanisms and the dynamics of heterogeneous catalytic reaction systems. The last chapter discusses the design and operation modes of laboratory reactors, frequently used for the investigation of heterogeneous catalytic reactions.The approach is interdisciplinary, providing a balance between chemical engineering and chemical viewpoints of treating laboratory-scale reactors. Chemists and chemical engineers involved in catalyst research will be very interested in this book and it can also be usefully used in specialized courses for graduate students in chemistry or in chemical reaction engineering.

An integrated approach to the molecular theory of reaction mechanism in heterogeneous catalysis, largely based on the knowledge among the growing theoretical catalysis community over the past half century, and covering all major catalytic systems. The authors develop a general conceptual framework, including in-depth comparisons with enzyme catalysis, biomineralisation, organometallic and coordination chemistry. A chapter dedicated to molecular electrocatalysis addresses the molecular description of reactions at the liquid-solid interphase, while studies range from a quantum-chemical treatment of individual molecular states to dynamic Monte-Carlo simulations, including the full flexibility of the many-particle systems. Complexity in catalysis is explained in chapters on self-organization and self-assembly of catalysts, and other sections are devoted to evolutionary, combinatorial techniques as well as artificial chemistry.

In this book, the author determines that a surface is itself a new material for chemical reaction, and the reaction of the surface provides additional new materials on that surface. The revelation of that peculiarity is what makes this book different from an ordinary textbook, and this new point of view will help to provide a new impetus when graduate students and researchers consider their results. The reaction of surface atoms provides additional new compounds, but these compounds cannot be detached from the surface. Some compounds are passive, but others work as catalysts. One superior feature of the surface is the dynamic cooperation of two or more different functional materials or sites on the same surface. This fact has been well established in the preferential oxidation of CO on platinum supported on a carbon nanotube with Ni-MgO at its terminal end. The Pt and Ni-MgO are perfectly separated, but these two are indispensable for the selective oxidation of CO in H2, where the H2O molecule plays a key role. The reader will understand that the complexity of catalysis is due to the complexity of the dynamic processes on the surface.

The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.