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Applications of Molecular Simulation in the Oil and Gas Industry
Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more generally to the chemical industry. Based on a universally accepted theoretical background, molecular simulation accounts for the precise structure of molecules in evaluating their interactions. Taking advantage of the availability of powerful computers at moderate cost, molecular simulation is now providing reliable predictions in many cases where classical methods (such as equations of state or group contribution methods) have limited prediction capabilities. This is particularly useful for designing processes involving toxic components, e...
First Letters in the Eighteenth and Nineteenth Centuries
‘First letters’ can be understood in various ways: as the first letters written by a person, such as the letters of children, or of drafts which were preserved, amended and copied; as the first letter of a particular type, such as an experienced letter-writer’s first love letter; and as the first letter to a new correspondent, among many others. The idea of a first letter also suggests a link with the letters that follow: what is the connection between the first letter and those which come after it? Written by academics specializing in letter-writing internationally, this volume examines the letters of various authors, philosophers, and artists, including Benjamin Constant, José-Maria de Heredia, Voltaire, Diderot, Coleridge, De Quincey, and others. It is structured in four sections: letters from youth; first letters in fictional works; the writer’s persona; and first letters within correspondence.
Comets, Popular Culture, and the Birth of Modern Cosmology
A lively investigation into the boundaries between popular culture and early-modern science. Until the 17th century, all members of society dreaded comets as heaven-sent portents of disaster. This book leads to the conclusion that long-held views of comets as divine signs were not over-turned by astronomical discoveries, but became the foundation on which modern cosmology was built. 53 photos.
Put Your Debt on a Diet
You could be just two paycheques away from bankruptcy! More people are up to their eyeballs in debt than ever before. Canadian families currently owe over $450 billion. That’s almost $15,000 in debt for every man, woman, and child in the country. It's mortgages, vehicles, credit cards, student loans, and more ... and it's dangerous. The number of consumer bankruptcies has been rising dramatically every year, and Canadians from all walks of life are in dire financial straits — from the working poor to the highest-income professionals. No one is immune from crushing debt, and it will just get worse if we don't take control now. Effectively managing your debt is one of the first—and most ...
Zeolites and Related Materials: Trends Targets and Challenges(SET)
The present book "Zeolites and Related Materials: Trends, Targets and Challenges" reports the communications that have been presented at the 4th International FEZA (Federation of European Zeolite Associations) Conference in Paris, September 3-6, 2008. It gives an excellent overview of the present state of the art of ordered nanoporous solids including zeolites as well as synthetic layered materials (clays), nanosized molecular sieves, ordered mesoporous solids, metal-organic-framework compounds (MOFs), carbons, etc. with emphasis on the synthesis, comprehensive characterization and advanced applications. The significant research activities in this domain are due to the outstanding properties...
Metal-Organic Frameworks
An international and interdisciplinary team of leading experts from both academia and industry report on the wide range of hot applications for MOFs, discussing both the advantages and limits of the material. The resulting overview covers everything from catalysis, H2 and CH4 storage and gas purification to drug delivery and sensors. From the Contents: - Design of Porous Coordination Polymers/Metal-Organic Frameworks: Past, Present and Future - Design of Functional Metal-Organic Frameworks by Post-Synthetic Modification - Thermodynamic Methods for Prediction of Gas Separation in Flexible Frameworks - Separation and purification of gases by MOFs - Opportunities for MOFs in CO2 capture from fl...
European Symposium on Computer Aided Process Engineering - 13
This book contains papers presented at the 13th European Symposium on Computer Aided Process Engineering (ESCAPE-13). The ESCAPE symposia bring together scientists, students and engineers from academia and industry, who are active in the research and application of Computer Aided Process Engineering.The objective of ESCAPE-13 is to promote CAPE applications into new businesses and technologies by highlighting the use of computers and information technology tools in five specific areas: process design; process control and dynamics; modeling, simulation and optimization; applications in pulp and paper industry; and applications in biotechnology.Includes 190 papers selected from 391 submitted abstracts.All papers have been reviewed by 33 members of the international scientific community.
Reaction Rate Constant Computations
The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
A Game for Rough Girls?
Can we truly call football England's 'national' game? How have we arrived at this point of such clear inequality between men's and women's football? Between 1921 and 1972, women were banned from playing in football League grounds in the UK. Yet in 1998 FIFA declared that "the future is feminine" and that football was the fastest growing sport for women globally. The result of several years of original research, the book traces the continuities in women's participation since the beginnings of the game, and highlights the significant moments that have influenced current practice. The text provides: *insight into the communities and individual experiences of players, fans, investors, administra...
Molecular Networking
The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems Covers hot topics such as artificial intelligence and machine learning of molecular trends Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society Authors have a well-established track record and reputation in the field
