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Implicit Solvation Models For Air Water Interfaces And Aqueous And Nonaqueous Solution
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Book Synopsis Implicit Solvation Models for Air-water Interfaces and Aqueous and Nonaqueous Solution by : Casey Patrick Kelly
Download or read book Implicit Solvation Models for Air-water Interfaces and Aqueous and Nonaqueous Solution written by Casey Patrick Kelly and published by . This book was released on 2007 with total page 924 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 924 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book COSMO-RS written by Andreas Klamt and published by Elsevier. This book was released on 2005-07-26 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program
Book Synopsis Single-Ion Solvation by : Philippe Hunenberger
Download or read book Single-Ion Solvation written by Philippe Hunenberger and published by Royal Society of Chemistry. This book was released on 2015-10-20 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parameters associated with the solvation of a given ion. However, due to the constraint of electroneutrality, the involvement of surface effects and the ambiguous connection between microscopic and macroscopic descriptions, the determination of single-ion solvation properties via both experimental and theoretical approaches has turned out to be a very difficult and highly controversial problem. This unique book provides an up-to-date, compact and consistent account of the research field of single-ion solvation thermodynamics that has over one hundred years of history and still remains largely unsolved. By reviewing the various approaches employed to date, establishing the relevant connections between single-ion thermodynamics and electrochemistry, resolving conceptual ambiguities, and giving an exhaustive data compilation (in the context of alkali and halide hydration), this book provides a consistent synthesis, in depth understanding and clarification of a large and sometimes very confusing research field. The book is primarily aimed at researchers (professors, postgraduates, graduates, and industrial researchers) concerned with processes involving ionic solvation properties (these are ubiquitous, eg. in physical/organic/analytical chemistry, electrochemistry, biochemistry, pharmacology, geology, and ecology). Because of the concept definitions and data compilations it contains, it is also a useful reference book to have in a university library. Finally, it may be of general interest to anyone wanting to learn more about ions and solvation. Key features: - discusses both experimental and theoretical approaches, and establishes the connection between them - provides both an account of the past research (covering over one hundred years) and a discussion of current directions (in particular on the theoretical side) - involves a comprehensive reference list of over 2000 citations - employs a very consistent notation (including table of symbols and unambiguous definitions of all introduced quantities) - provides a discussion and clarification of ambiguous concepts (ie. concepts that have not been defined clearly, or have been defined differently by different authors, leading to confusion in past literature) - encompasses an exhaustive data compilation (in the restricted context of alkali and halide hydration), along with recommended values (after critical analysis of this literature data) - is illustrated by a number of synoptic colour figures, that will help the reader to grasp the connections between different concepts in one single picture
Book Synopsis Ionic Solvation by : Gennadiĭ Alekseevich Krestov
Download or read book Ionic Solvation written by Gennadiĭ Alekseevich Krestov and published by Prentice Hall. This book was released on 1994 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive, widely-read anthology presents cogent and provocativearticles from differing political perspectives on major issues in post-World WarII America. The fourth edition is considerably expanded to include newselections on the AIDS epidemic, gay rights, the women's movement, and theClinton-Gore administration. In addition to articles by leading historians theeditors have chosen first-person accounts by participants in each of the issuesunder discussion, from Martin Luther King, Jr.'s "Letter from the BirminghamJail" to Al Gore's speech on environmentalism. With lively introductions to eachsection providing a context for the articles, this book helps students makesense of the tumultuous world of our time.
Book Synopsis Physics of Surfaces and Interfaces by : Harald Ibach
Download or read book Physics of Surfaces and Interfaces written by Harald Ibach and published by Springer Science & Business Media. This book was released on 2006-11-18 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.
Book Synopsis Intermolecular and Surface Forces by : Jacob N. Israelachvili
Download or read book Intermolecular and Surface Forces written by Jacob N. Israelachvili and published by Academic Press. This book was released on 2011-07-22 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. - Starts from the basics and builds up to more complex systems - Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels - Multidisciplinary approach: bringing together and unifying phenomena from different fields - This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)
Download or read book Mineral Surfaces written by D. Vaughan and published by Springer. This book was released on 1995 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: 30% discount for members of The Mineralogical Society of Britain and Ireland This text summarises the state-of-the-art in the study of mineral surfaces and some of the key applications of surface science in mineralogy and mineral chemistry. Each chapter covers a particular aspect of the subject and is written by an expert who raises the key issues involved for those requiring an introduction to the subject, whilst highlighting most recent developments. Advanced undergraduates, postgraduates and researchers alike will find this essential reading as it is the first book to review the fast developing field of mineral surfaces.
Book Synopsis Computational Catalysis by : Aravind Asthagiri
Download or read book Computational Catalysis written by Aravind Asthagiri and published by Royal Society of Chemistry. This book was released on 2014 with total page 277 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.
Book Synopsis Computational Electrochemistry by : S. Paddison
Download or read book Computational Electrochemistry written by S. Paddison and published by The Electrochemical Society. This book was released on 2015-12-28 with total page 49 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Trial by Heist written by Kel Carpenter and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Trial by Heist is a full-length novella set in between Heir of Shadows and Scion of Midnight. This book is told from Johanna's perspective. The Mother will guide you. The dragon will call.I used to believe that. I used to believe a lot of things. My name is Johanna Kozak, and I have spent over a decade living in the shadows of our very dark world. I thought if I ran fast enough, I'd outrun my past. Until my best friend was murdered by the same person who killed my parents, and I was the one framed for it. Now the Supernatural Council hold me prisoner, and if there's one thing I know--it's that being a half-breed in a Supernatural world is a death sentence unto itself. The Council Member who locked me up plans to execute me, but little does she know... she's not the only one with friends in high places--and mine are planning a prison break.
Book Synopsis Advanced CO2 Capture Technologies by : Shin-ichi Nakao
Download or read book Advanced CO2 Capture Technologies written by Shin-ichi Nakao and published by Springer. This book was released on 2019-05-07 with total page 83 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarises the advanced CO2 capture technologies that can be used to reduce greenhouse gas emissions, especially those from large-scale sources, such as power-generation and steel-making plants. Focusing on the fundamental chemistry and chemical processes, as well as advanced technologies, including absorption and adsorption, it also discusses other aspects of the major CO2 capture methods: membrane separation; the basic chemistry and process for CO2 capture; the development of materials and processes; and practical applications, based on the authors’ R&D experience. This book serves as a valuable reference resource for researchers, teachers and students interested in CO2 problems, providing essential information on how to capture CO2 from various types of gases efficiently. It is also of interest to practitioners and academics, as it discusses the performance of the latest technologies applied in large-scale emission sources.
Book Synopsis Electrochemical Methods by : Allen J. Bard
Download or read book Electrochemical Methods written by Allen J. Bard and published by Wiley Global Education. This book was released on 2012-04-13 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt: Das führende Werk auf seinem Gebiet - jetzt durchgängig auf den neuesten Stand gebracht! Die theoretischen Grundlagen der Elektrochemie, erweitert um die aktuellsten Erkenntnisse in der Theorie des Elektronentransfers, werden hier ebenso besprochen wie alle wichtigen Anwendungen, darunter modernste Verfahren (Ultramikroelektroden, modifizierte Elektroden, LCEC, Impedanzspektrometrie, neue Varianten der Pulsvoltammetrie und andere). In erster Linie als Lehrbuch gedacht, läßt sich das Werk aber auch hervorragend zum Selbststudium und zur Auffrischung des Wissensstandes verwenden. Lediglich elementare Grundkenntnisse der physikalischen Chemie werden vorausgesetzt.
Book Synopsis Solvent Extraction by : Vladimir S Kislik
Download or read book Solvent Extraction written by Vladimir S Kislik and published by Elsevier. This book was released on 2011-11-04 with total page 573 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main challenge in modern solvent extraction separation is that most techniques are mainly empirical, specific and particular for narrow fields of practice and require a large degree of experimentation. This concise and modern book provides a complete overview of both solvent extraction separation techniques and the novel and unified competitive complexation/solvation theory. This novel and unified technique presented in the book provides a key for a preliminary quantitative prediction of suitable extraction systems without experimentation, thus saving researchers time and resources. Analyzes and compares both classical and new competitive models and techniques Offers a novel and unified competitive complexation / solvation theory that permits researchers to standardize some parameters, which decreases the need for experimentation at R&D Presents examples of applications in multiple disciplines such as chemical, biochemical, radiochemical, pharmaceutical and analytical separation Written by an outstanding scientist who is prolific in the field of separation science
Book Synopsis Essentials of Computational Chemistry by : Christopher J. Cramer
Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Book Synopsis Surfactants and Polymers in Aqueous Solution by : Krister Holmberg
Download or read book Surfactants and Polymers in Aqueous Solution written by Krister Holmberg and published by Wiley. This book was released on 2002-11-22 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many industrial formulations such as detergents, paints, foodstuff and cosmetics contain both surfactants and polymers and their interaction govern many of the properties. This book is unique in that it discusses the solution chemistry of both surfactants and polymers and also the interactions between the two. The book, which is based on successful courses given by the authors since 1992, is a revised and extended version of the first edition that became a market success with six reprints since 1998. Surfactants and Polymers in Aqueous Solution is broad in scope, providing both theoretical insights and practical help for those active in the area. This book contains a thorough discussion of surfactant types and gives information of main routes of preparation. A chapter on novel surfactants has been included in the new edition. Physicochemical phenomena such as self-assembly in solution, adsorption, gel formation and foaming are discussed in detail. Particular attention is paid to the solution behaviour of surfactants and polymers containing polyoxyethylene chains. Surface active polymers are presented and their interaction with surfactants is a core topic of the book. Protein-surfactant interaction is also important and a new chapter deals with this issue. Microemulsions are treated in depth and several important application such as detergency and their use as media for chemical reactions are presented. Emulsions and the choice of emulsifier is discussed in some detail. The new edition also contains chapters on rheology and wetting. Surfactants and Polymers in Aqueous Solution is aimed at those dealing with surface chemistry research at universities and with surfactant formulation in industry.
Book Synopsis Atomic-Scale Modelling of Electrochemical Systems by : Marko M. Melander
Download or read book Atomic-Scale Modelling of Electrochemical Systems written by Marko M. Melander and published by John Wiley & Sons. This book was released on 2021-09-09 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
