This book presents advances in computational methods, experimental synthesis, and advanced characterizations for novel catalytic materials. The authors show how catalytical materials can be used for various engineering oil & gas applications – mainly in low contaminants fuel production. All contributors, describe in detail novel experimental and theoretical techniques techniques and concepts for synthesis, evaluation and scaling catalytic materials and research advances in evaluation, extensive characterization and theoretical modeling using computer assisted methods and algorithms. Describes computational methods, experimental synthesis and advanced characterization for novel catalytic materials; Examines catalytic materials and corresponding engineering applications with a focus on low contaminant fuel production and derivatives; Covers the application of computer assisted quantum mechanical for fundamental understanding of electronic structure of molecular dimension catalytic materials.

Todays chemical industry processes worldwide largely depend on catalytic reactions and the desirable future evolution of this industry toward more selective products, more environmentally friendly products, more energy-efficient processes, a smaller use of hazardous reagents, and a better use of raw materials also largely involves the development of better catalysts and, specifically, purposely designed catalytic materials. The careful study and development of the new-generation catalysts involve relatively large groups of specialists in universities, research centers, and industries, joining forces from different scientific and technical disciplines. This book has put together recent, state-of-the-art topics on current trends in catalytic materials and consists of 16 chapters.

A comprehensive guide to a cutting-edge and cost-effective refinement process for heavy oil Oil sufficiently viscous that it cannot flow normally from production wells is called heavy oil and constitutes as much as 70% of global oil reserves. Extracting and refining this oil can pose significant challenges, including very high transportation costs. As a result, processes which produce and partially refine heavy oil in situ, known as catalytic upgrading, are an increasingly important part of the heavy oil extraction process, and the reduced carbon footprint associated with these methods promises to make them even more significant in the coming years. Catalytic In-Situ Upgrading of Heavy and Extra-Heavy Crude Oils provides a comprehensive introduction to these processes. It introduces the properties and characteristics of heavy and extra-heavy oil before discussing different catalysts and catalyzing processes, their mechanisms and underlying physics, and more. It offers the full sweep of description and analysis required for petroleum and chemical engineers to understand this vital aspect of the modern oil industry. Readers will also find: Detailed discussion of subjects including electron paramagnetic resonance spectroscopy, nuclear magnetic resonance spectroscopy, and more Analysis of both liquid catalysts and nanoparticle catalysts A numerical simulation of the catalytic in-situ oil upgrading process Catalytic In-Situ Upgrading of Heavy and Extra-Heavy Crude Oils is a valuable reference for petroleum and chemical engineers as well as advanced undergraduate and graduate students in related fields.

The subject of advanced materials in catalysisbrings together recent advancements in materials synthesis and technologies to the design of novel and smart catalysts used in the field of catalysis. Nanomaterials in general show an important role in chemical processing as adsorbents, catalysts, catalyst supports and membranes, and form the basis of cutting-edge technology because of their unique structural and surface properties. Advanced Catalytic Materials is written by a distinguished group of contributors and the chapters provide comprehensive coverage of the current literature, up-to-date overviews of all aspects of advanced materials in catalysis, and present the skills needed for designing and synthesizing advanced materials. The book also showcases many topics concerning the fast-developing area of materials for catalysis and their emerging applications. The book is divided into three parts: Nanocatalysts – Architecture and Design; Organic and Inorganic Catalytic Transformations; and Functional Catalysis: Fundamentals and Applications. Specifically, the chapters discuss the following subjects: Environmental applications of multifunctional nanocomposite catalytic materials Transformation of nanostructured functional precursors using soft chemistry Graphenes in heterogeneous catalysis Gold nanoparticles-graphene composites material for catalytic application Hydrogen generation from chemical hydrides Ring-opening polymerization of poly(lactic acid) Catalytic performance of metal alkoxides Cycloaddition of CO2 and epoxides over reusable solid catalysts Biomass derived fine chemicals using catalytic metal bio-composites Homoleptic metal carbonyls in organic transformation Zeolites: smart materials for novel, efficient, and versatile catalysis Optimizing zeolitic catalysis for environmental remediation

Biomass conversion into drop-in chemicals using novel heterogeneous bulk- and nano-scale catalysts is currently a hot research topic with the aim of replacing petrochemicals in the chemical industry. Considering the importance of this subject to the scientific community, Advanced Catalysis for Drop-in Chemicals provides the latest developments in the catalytic synthesis of drop-in chemicals mainly from lignocellulose, carbohydrates (cellulose, hemicellulose, C6 and C5 sugars, and their derivatives), lignin, and glycerol. The role of both heterogeneous bulk solid and nanostructured catalysts, along with their advantages and disadvantages for drop-in chemicals synthesis are critically summarized. Addressing the frontiers and prospects for using drop-in chemicals in place of petrochemicals in the chemical industry is also a key topic of this book. • Describes fossil fuels, biomass, drop-in chemicals, catalysis, and nano- and atomic-scale catalysts • Includes pre- and post-treatment strategies for biomass upgrading • Provides green catalytic processes for drop-in chemicals synthesis • Outlines stabilization of nano- and atomic-scale catalysts • Examines using drop-in chemicals in place of petrochemicals in the chemical industry

The impact of catalysis on the nation's economy is evidenced by the fact that catalytic technologies generate U.S. sales in excess of $400 billion per year and a net positive balance of trade of $16 billion annually. This book outlines recent accomplishments in the science and technology of catalysis and summarizes important likely challenges and opportunities on the near horizon. It also presents recommendations for investment of financial and human resources by industry, academe, national laboratories, and relevant federal agencies if the nation is to maintain continuing leadership in this fieldâ€"one that is critical to the chemical and petroleum processing industries, essential for energy-efficient means for environmental protection, and vital for the production of a broad range of pharmaceuticals.