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In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the e
This is the first volume of a two-volume set of critical reviews of many aspects of both asphaltenes and asphalts and their interrelationship. Asphaltene is invariably present in asphalt or bitumen and other fossil fuel-derived liquids such as coal tar, coal liquefaction products, pyrolyzed shale oil from oil shales, source rock extracts and numerous naturally occurring bituminous substances. The latter include asphaltites, asphaltoids, waxes, and carbonaceous deposits containing a composition of petroleum and coal.The contents cover not only the basic science of asphaltene but also deal with the applications and technology such as upstreams (production, recovery) and down streams (refining, upgrading) of petroleum, and the paving technology and formulation preparation. The main features of the book are: it provides an up-to-date, in-depth review of every aspect of asphaltenes and asphalts; it spans five decades of research and technology of heavy fractions of petroleum; it presents a global view of asphaltene related to exploration production, refining and upgrading.The book will be welcomed as a valuable reference source for petroleum companies, research institutes, refineries, universities and also by individuals dealing with the production, origin, formation, engineering, conversion and catalysis of heavy oil, tar sands and other bitumens materials.
This book, The Science and Technology of Unconventional Oils: Finding Refining Opportunities, intends to report the collective physical and chemical knowledge of unconventional oils (heavy, extra-heavy, sour/acid, and shale oil) and the issues associated with their refining for the production of transportation fuels. It will focus on the discussion of the scientific results and technology activities of the refining of unconventional oils. The presence of reactive and refractory compounds and components that negatively impact refining processing (the "bad actors") are discussed and analyzed. The commercially available technologies, with their reported improvements and emerging ideas, concepts, and technologies, are described. This comprehensive overview constitutes the basis for establishing technology gaps, and in return sets the science and technology needs to be addressed in the future. In summary, this book incorporates the relevant knowledge of processing unconventional crude oils and of the "Bottom-of-the-Barrel" fraction, describing the related commercially available and emerging technologies to contribute to the identification of existing gaps. - Relates physicochemical properties and phenomenological behavior of unconventional oils to refining challenges - Describes commercially available technologies and the problems they solve - Lists recent improvements in various processes and identifies technology gaps - Explains emerging new refining technologies and the problems they solve - Discusses future needs and challenges, and suggests further research and development needs
Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience.
Mass Spectrometry of Organic Ions covers the underlying theories and major applications of mass spectrometry. This 13-chapter book starts with a survey of the mechanisms by which organic ions can decompose and rearrange, as well as the generalized concept in terms of physical-organic chemistry. The discussion then shifts to the advantages and potential of mass spectrometry in structure determination by the elucidation of the empirical formulas of organic ions. Considerable chapters are devoted to the detailed correlations and mechanisms of the mass spectra of long-chain esters, alkylbenzenes, a variety of natural products, aliphatic compounds, and terpenes. The remaining chapters demonstrate the illustrative power of mass spectrometry in structure of petroleum, which is composed of hydrocarbon mixture. This book will be of great benefit to organic and analytical chemists, scientists, and students.