Download or read book Modelling of Chemical Reaction Systems written by K.H. Ebert and published by Springer. This book was released on 1981-11-01 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Out of Equilibrium Supra molecular Systems and Materials written by Nicolas Giuseppone and published by John Wiley & Sons. This book was released on 2021-03-30 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: A must-have resource that covers everything from out-of-equilibrium chemical systems and materials to dissipative self-assemblies Out-of-Equilibrium Supramolecular Systems and Materials presents a comprehensive overview of the synthetic approaches that use supramolecular bonds in various out-of-thermodynamic equilibrium situations. With contributions from noted experts on the topic, the text contains information on the design of dissipative self-assemblies that maintain their structures when fueled by an external source of energy. The contributors also examine molecules and nanoscale objects and materials that can produce mechanical work based on molecular machines. Additionally, the book explores non-equilibrium supramolecular polymers that can be trapped in kinetically stable states, as well as out-of-equilibrium chemical systems and oscillators that are important to understand the emergence of complex behaviors and, in particular, the origin of life. This important book: Offers comprehensive coverage of fields from design of dissipative self-assemblies to non-equilibrium supramolecular polymers Presents information on a highly emerging and interdisciplinary topic Includes contributions from internationally renowned scientists Written for chemists, physical chemists, biochemists, material scientists, Out-of-Equilibrium Supramolecular Systems and Materials is an indispensable resource written by top scientists in the field.
Download or read book Foundations of Chemical Reaction Network Theory written by Martin Feinberg and published by Springer. This book was released on 2019-01-31 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an authoritative introduction to the rapidly growing field of chemical reaction network theory. In particular, the book presents deep and surprising theorems that relate the graphical and algebraic structure of a reaction network to qualitative properties of the intricate system of nonlinear differential equations that the network induces. Over the course of three main parts, Feinberg provides a gradual transition from a tutorial on the basics of reaction network theory, to a survey of some of its principal theorems, and, finally, to a discussion of the theory’s more technical aspects. Written with great clarity, this book will be of value to mathematicians and to mathematically-inclined biologists, chemists, physicists, and engineers who want to contribute to chemical reaction network theory or make use of its powerful results.
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.
Download or read book Chemical Reaction Networks written by Oleg N. Temkin and published by CRC Press. This book was released on 2020-07-24 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.
Download or read book Analysis Synthesis and Design of Chemical Processes written by Richard Turton and published by Pearson Education. This book was released on 2008-12-24 with total page 1562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Leading Integrated Chemical Process Design Guide: Now with New Problems, New Projects, and More More than ever, effective design is the focal point of sound chemical engineering. Analysis, Synthesis, and Design of Chemical Processes, Third Edition, presents design as a creative process that integrates both the big picture and the small details–and knows which to stress when, and why. Realistic from start to finish, this book moves readers beyond classroom exercises into open-ended, real-world process problem solving. The authors introduce integrated techniques for every facet of the discipline, from finance to operations, new plant design to existing process optimization. This fully updated Third Edition presents entirely new problems at the end of every chapter. It also adds extensive coverage of batch process design, including realistic examples of equipment sizing for batch sequencing; batch scheduling for multi-product plants; improving production via intermediate storage and parallel equipment; and new optimization techniques specifically for batch processes. Coverage includes Conceptualizing and analyzing chemical processes: flow diagrams, tracing, process conditions, and more Chemical process economics: analyzing capital and manufacturing costs, and predicting or assessing profitability Synthesizing and optimizing chemical processing: experience-based principles, BFD/PFD, simulations, and more Analyzing process performance via I/O models, performance curves, and other tools Process troubleshooting and “debottlenecking” Chemical engineering design and society: ethics, professionalism, health, safety, and new “green engineering” techniques Participating successfully in chemical engineering design teams Analysis, Synthesis, and Design of Chemical Processes, Third Edition, draws on nearly 35 years of innovative chemical engineering instruction at West Virginia University. It includes suggested curricula for both single-semester and year-long design courses; case studies and design projects with practical applications; and appendixes with current equipment cost data and preliminary design information for eleven chemical processes–including seven brand new to this edition.
Download or read book Stochastic Analysis of Biochemical Systems written by David F. Anderson and published by Springer. This book was released on 2015-04-23 with total page 91 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on counting processes and continuous-time Markov chains motivated by examples and applications drawn from chemical networks in systems biology. The book should serve well as a supplement for courses in probability and stochastic processes. While the material is presented in a manner most suitable for students who have studied stochastic processes up to and including martingales in continuous time, much of the necessary background material is summarized in the Appendix. Students and Researchers with a solid understanding of calculus, differential equations and elementary probability and who are well-motivated by the applications will find this book of interest. David F. Anderson is Associate Professor in the Department of Mathematics at the University of Wisconsin and Thomas G. Kurtz is Emeritus Professor in the Departments of Mathematics and Statistics at that university. Their research is focused on probability and stochastic processes with applications in biology and other areas of science and technology. These notes are based in part on lectures given by Professor Anderson at the University of Wisconsin – Madison and by Professor Kurtz at Goethe University Frankfurt.
Download or read book Mathematical Models of Chemical Reactions written by Péter Érdi and published by Manchester University Press. This book was released on 1989 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Aided Verification written by Isil Dillig and published by Springer. This book was released on 2019-07-12 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access two-volume set LNCS 11561 and 11562 constitutes the refereed proceedings of the 31st International Conference on Computer Aided Verification, CAV 2019, held in New York City, USA, in July 2019. The 52 full papers presented together with 13 tool papers and 2 case studies, were carefully reviewed and selected from 258 submissions. The papers were organized in the following topical sections: Part I: automata and timed systems; security and hyperproperties; synthesis; model checking; cyber-physical systems and machine learning; probabilistic systems, runtime techniques; dynamical, hybrid, and reactive systems; Part II: logics, decision procedures; and solvers; numerical programs; verification; distributed systems and networks; verification and invariants; and concurrency.
Download or read book Modelling of Chemical Reaction Systems written by K.H. Ebert and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: For rather a long time numerical results in chemical kinetics could only be obtained for very simple chemical reactions, most of which were of minor practi ca 1 importance. The avail abil ity of fast computers has provi ded new opportunities for developments in chemical kinetics. Chemical systems of practical interest are usually very complicated. They consi st of a great number of different el ementary chemi cal reacti ons, mostly with rate constants differi ng by many orders of magni tude, frequently with surface reacti on steps and often wi th transport processes. The deri vati on of a 'true' chemical mechani sm can be extremely cumbersome. Mostly this work is done by setting up 'reaction models' which are im proved step by step in comparison with precise experimental data. At this early stage mathematics is involved, which may al ready be rather complicated. Mathematical methods such as pertubation theory, graph theory, sensitivity analysis or numerical integration are necessary for the derivation and application of optimal chemical reaction models. Most theoretical work aimed at improving the mathematical methods was done on chemical reactions which mostly were of little practical im portance. Chemi cal engi neers, who evi dently k now well how important the chemical model s and their dynamics are for reactor desi gn, have al so to be convinced not only on the theoretical work but also on its practical applic abil ity.
Download or read book Low Temperatures and Cold Molecules written by Ian W. M. Smith and published by Imperial College Press. This book was released on 2008 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together, for the first time, the results of recent research in areas ranging from the chemistry of cold interstellar clouds (10-20 K), through laboratory studies of the spectroscopy and kinetics of ions, radicals and molecules, to studies of molecules in liquid helium droplets, to attempts to create molecular (as distinct from atomic) Bose-Einstein condensates.
Download or read book Reaction Kinetics written by János Tóth and published by . This book was released on 2018 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fifty years ago, a new approach to reaction kinetics began to emerge: one based on mathematical models of reaction kinetics, or formal reaction kinetics. Since then, there has been a rapid and accelerated development in both deterministic and stochastic kinetics, primarily because mathematicians studying differential equations and algebraic geometry have taken an interest in the nonlinear differential equations of kinetics, which are relatively simple, yet capable of depicting complex behavior such as oscillation, chaos, and pattern formation. The development of stochastic models was triggered by the fact that novel methods made it possible to measure molecules individually. Now it is high time to make the results of the last half-century available to a larger audience: students of chemistry, chemical engineering and biochemistry, not to mention applied mathematics. Based on recent papers, this book presents the most important concepts and results, together with a wealth of solved exercises. The book is accompanied by the authors' Mathematica package, ReactionKinetics, which helps both students and scholars in their everyday work, and which can be downloaded from http://extras.springer.com/ and also from the authors' websites. Further, the large set of unsolved problems provided may serve as a springboard for individual research.
Download or read book Tools and Algorithms for the Construction and Analysis of Systems written by Dirk Beyer and published by Springer. This book was released on 2018-04-13 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is Open Access under a CC BY licence. The LNCS 10805 and 10806 proceedings set constitutes the proceedings of the 24th International Conference on Tools and Algorithms for the Construction and Analysis of Systems, TACAS 2018, which took place in Thessaloniki, Greece, in April 2018, held as part of the European Joint Conference on Theory and Practice of Software, ETAPS 2018. The total of 43 full and 11 short papers presented in these volumes was carefully reviewed and selected from 154submissions. The papers are organized in topical sections as follows: Part I: theorem proving; SAT and SMT I; deductive verification; software verification and optimization; model checking; and machine learning. Part II: concurrent and distributed systems; SAT and SMT II; security and reactive systems; static and dynamic program analysis; hybrid and stochastic systems; temporal logic and mu-calculus; 7th Competition on Software Verification – SV-COMP.
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Download or read book 21st European Symposium on Computer Aided Process Engineering written by E. N. Pistikopoulos and published by Elsevier. This book was released on 2011-07-21 with total page 2087 pages. Available in PDF, EPUB and Kindle. Book excerpt: The European Symposium on Computer Aided Process Engineering (ESCAPE) series presents the latest innovations and achievements of leading professionals from the industrial and academic communities. The ESCAPE series serves as a forum for engineers, scientists, researchers, managers and students to present and discuss progress being made in the area of computer aided process engineering (CAPE). European industries large and small are bringing innovations into our lives, whether in the form of new technologies to address environmental problems, new products to make our homes more comfortable and energy efficient or new therapies to improve the health and well being of European citizens. Moreover, the European Industry needs to undertake research and technological initiatives in response to humanity's "Grand Challenges," described in the declaration of Lund, namely, Global Warming, Tightening Supplies of Energy, Water and Food, Ageing Societies, Public Health, Pandemics and Security. Thus, the Technical Theme of ESCAPE 21 will be "Process Systems Approaches for Addressing Grand Challenges in Energy, Environment, Health, Bioprocessing & Nanotechnologies."
Download or read book Statistical Modelling of Molecular Descriptors in QSAR QSPR written by Matthias Dehmer and published by John Wiley & Sons. This book was released on 2012-09-13 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
Download or read book Modeling and Simulation of Heterogeneous Catalytic Reactions written by Olaf Deutschmann and published by John Wiley & Sons. This book was released on 2013-09-18 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.
