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Advances In Chemical Modeling
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Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents and discusses current research in the study of chemical modelling. Topics discussed include chemical action and the transition state reactivity; algebraic chemistry of catalysis; solid-state polymerisation kinetics; fractal features of proteins structure and dynamics; and more.
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in QSAR Modeling by : Kunal Roy
Download or read book Advances in QSAR Modeling written by Kunal Roy and published by Springer. This book was released on 2017-05-22 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
Download or read book Fuel Cell Engineering written by and published by Academic Press. This book was released on 2012-08-14 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fuel cells are attractive electrochemical energy converters featuring potentially very high thermodynamic efficiency factors. The focus of this volume of Advances in Chemical Engineering is on quantitative approaches, particularly based on chemical engineering principles, to analyze, control and optimize the steady state and dynamic behavior of low and high temperature fuel cells (PEMFC, DMFC, SOFC) to be applied in mobile and stationary systems. Updates and informs the reader on the latest research findings using original reviews Written by leading industry experts and scholars Reviews and analyzes developments in the field
Book Synopsis Advanced Data Analysis and Modelling in Chemical Engineering by : Denis Constales
Download or read book Advanced Data Analysis and Modelling in Chemical Engineering written by Denis Constales and published by Elsevier. This book was released on 2016-08-23 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development. Presents the main mathematical problems and models of chemical engineering and provides the reader with contemporary methods and tools to solve them Summarizes in a clear and straightforward way, the contemporary trends in the interaction between mathematics and chemical engineering vital to chemical engineers in their daily work Includes classical analytical methods, computational methods, and methods of symbolic computation Covers the latest cutting edge computational methods, like symbolic computational methods
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2012 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in Chemical Modeling by : Mihai V. Putz
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advanced Process Control and Simulation for Chemical Engineers by : Hossein Ghanadzadeh Gilani
Download or read book Advanced Process Control and Simulation for Chemical Engineers written by Hossein Ghanadzadeh Gilani and published by CRC Press. This book was released on 2016-04-19 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a modern view of process control in the context of today's technology. It provides innovative chapters on the growth of educational, scientific, and industrial research among chemical engineers. It presents experimental data on thermodynamics and provides a broad understanding of the main computational techniques used for chemical
Book Synopsis Lattice Boltzmann Modeling for Chemical Engineering by :
Download or read book Lattice Boltzmann Modeling for Chemical Engineering written by and published by Academic Press. This book was released on 2020-06-25 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lattice Boltzmann Modeling for Chemical Engineering, Volume 56 in the Advances in Chemical Engineering series, highlights new advances in the field, with this new volume presenting interesting chapters on Simulations of homogeneous and heterogeneous chemical reactions, LBM for 3D Chemical Reactors, LBM Simulations of PEM fuel cells, LBM for separation processes, LBM for two-phase flow (bio)reactors, and more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Chemical Engineering series Includes the latest information on Lattice Boltzmann Modeling for Chemical Engineering
Book Synopsis Process Advancement in Chemistry and Chemical Engineering Research by : Gennady E. Zaikov
Download or read book Process Advancement in Chemistry and Chemical Engineering Research written by Gennady E. Zaikov and published by CRC Press. This book was released on 2016-01-06 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains peer-reviewed chapters and original research on chemistry and its broad range of applications in chemical engineering. Covering both theoretical and practical applications of modern chemistry, the book presents a different aspects of chemistry and chemical engineering. The book includes the most significant new research papers and other original contributions on the structure of single molecules and radicals, molecular assemblies, gases, liquids (including water and solutions), amorphous and crystalline solids, surfaces, films and nanoparticles (including inorganic, organic and organometallic compounds), molecular and polymeric materials, single crystals, and minerals. The aim of this multidisciplinary book is to promote communication and dialogue among researchers, scientists, engineers, and policymakers working in the areas of modern chemistry and chemical engineering and who deal with all structural aspects of modern chemistry and chemical engineering. The research provided here will be especially valuable to those interested in the principles of chemical bonding and matter organization, the impact of structural aspects on a chemical property or transformation, and the application of the newest physical methods in chemical structure research.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis Molecular Modeling and Theory in Chemical Engineering by : James Wei
Download or read book Molecular Modeling and Theory in Chemical Engineering written by James Wei and published by Elsevier. This book was released on 2001-12-18 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.
Book Synopsis Advances in Chemical Modeling. Volume 4 by : Mihai V. Putz
Download or read book Advances in Chemical Modeling. Volume 4 written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2013-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modelling the atomic structure in geometrical superior dimensional space, algebraic chemistry of reactivity, chemical reactivity within conceptual density functional theory (DFT); Structural Computational Chemistry: Covering theoretical studies of organic molecules in ground and excited states while modelling conformation, specific rotation, intra-molecular proton transfer, nucleophilic substitution, DFT algorithms; Modelling Experimental Chemistry: Studying the macroscopic and experimental influences on microscopic structure, spin transitions, triplet states, kinetics of detonation at molecular level, chemical kinetics and thermal decomposition; Structural Mathematical Chemistry: Approaches topological studies of extended systems: fullerenes, nanotubes, schwarzites, to the graphs characterisation by connectivity and topological indices modelling chemical reactivity; Structural Biological Chemistry: Modeling amino-acids and proteins interaction and behaviour in chemical bonding of bio-molecules; Computational Toxicology and Ecotoxicology: Describing the in silico relationship between the chemical structure and biological activity in various in vitro and in vivo environments; Modelling Environmental Chemistry: Explaining the macro-climate and pollution dynamics by recording and correlating of micro-behaviour on mapped ecological systems and physical territories; Educational Chemistry and Related Physical Sciences: Provides the enlighten connection between various models in chemistry and allied disciplines by innovative comparisons, changing classical or consecrated perspectives and principles, critically extending of the applicability domains of chemical models and interactions.
Book Synopsis Advances in Chemical Engineering by : Guy B. Marin
Download or read book Advances in Chemical Engineering written by Guy B. Marin and published by Elsevier. This book was released on 2011-09-21 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding and modeling the kinetics of chemical reactions is crucial to any research and development effort aimed at process optimization and innovation. This volume of Advances in Chemical Engineering provides four complementary points of view. It reflects state-of-the-art developments as well as views on the way to proceed by reporting on the efforts of a representative, sample of research and development groups. A first contribution by W.H. Green Jr. sets the scene. The author advocates a paradigm shift in chemical kinetics from "postdictive" to predictive models. The contribution from the Politecnico di Milano reports on the tremendous experience accumulated over the years in the field of steam cracking, one of the largest scale production processes of the petrochemical industry. The Russian school of chemical kinetics is represented by a chapter on oxidation of alkanes, this contribution addresses more "philosophical" issues. The last chapter gives an indication of the state-of-the-art in an industrial environment. Provides original reviews Presents leading chemical engineers as authors Reviews state-of-the-art developments
Book Synopsis A Primer on QSAR/QSPR Modeling by : Kunal Roy
Download or read book A Primer on QSAR/QSPR Modeling written by Kunal Roy and published by Springer. This book was released on 2015-04-11 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.
Book Synopsis Advances in Molecular Modeling by : Dennis Liotta
Download or read book Advances in Molecular Modeling written by Dennis Liotta and published by JAI Press(NY). This book was released on 1988 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Annual Reports in Computational Chemistry by :
Download or read book Annual Reports in Computational Chemistry written by and published by Elsevier. This book was released on 2015-11-29 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistry Molecular mechanics Force fields Chemical education and applications in academic and industrial settings
