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Author : Daniel E. Atkinson
Publisher :
ISBN 13 :
Total Pages : 340 pages
Book Rating : 4.E/5 ( download)
Download or read book Dynamic Models in Chemistry written by Daniel E. Atkinson and published by . This book was released on 1990 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Stephen P. Ellner
Publisher : Princeton University Press
ISBN 13 : 1400840961
Total Pages : 352 pages
Book Rating : 4.4/5 (8 download)
Download or read book Dynamic Models in Biology written by Stephen P. Ellner and published by Princeton University Press. This book was released on 2011-09-19 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: From controlling disease outbreaks to predicting heart attacks, dynamic models are increasingly crucial for understanding biological processes. Many universities are starting undergraduate programs in computational biology to introduce students to this rapidly growing field. In Dynamic Models in Biology, the first text on dynamic models specifically written for undergraduate students in the biological sciences, ecologist Stephen Ellner and mathematician John Guckenheimer teach students how to understand, build, and use dynamic models in biology. Developed from a course taught by Ellner and Guckenheimer at Cornell University, the book is organized around biological applications, with mathematics and computing developed through case studies at the molecular, cellular, and population levels. The authors cover both simple analytic models--the sort usually found in mathematical biology texts--and the complex computational models now used by both biologists and mathematicians. Linked to a Web site with computer-lab materials and exercises, Dynamic Models in Biology is a major new introduction to dynamic models for students in the biological sciences, mathematics, and engineering.
Author :
Publisher : John Wiley & Sons
ISBN 13 : 3527631348
Total Pages : 628 pages
Book Rating : 4.5/5 (276 download)
Download or read book Dynamic Process Modeling written by and published by John Wiley & Sons. This book was released on 2013-10-02 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference work for years to come.
Author : Biao Huang
Publisher : Springer
ISBN 13 : 1848002335
Total Pages : 249 pages
Book Rating : 4.8/5 (48 download)
Download or read book Dynamic Modeling, Predictive Control and Performance Monitoring written by Biao Huang and published by Springer. This book was released on 2008-03-02 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: A typical design procedure for model predictive control or control performance monitoring consists of: 1. identification of a parametric or nonparametric model; 2. derivation of the output predictor from the model; 3. design of the control law or calculation of performance indices according to the predictor. Both design problems need an explicit model form and both require this three-step design procedure. Can this design procedure be simplified? Can an explicit model be avoided? With these questions in mind, the authors eliminate the first and second step of the above design procedure, a “data-driven” approach in the sense that no traditional parametric models are used; hence, the intermediate subspace matrices, which are obtained from the process data and otherwise identified as a first step in the subspace identification methods, are used directly for the designs. Without using an explicit model, the design procedure is simplified and the modelling error caused by parameterization is eliminated.
Author : National Research Council
Publisher : National Academies Press
ISBN 13 : 0309168392
Total Pages : 238 pages
Book Rating : 4.3/5 (91 download)
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.
Author : Tanase Gh. Dobre
Publisher : John Wiley & Sons
ISBN 13 : 3527306072
Total Pages : 571 pages
Book Rating : 4.5/5 (273 download)
Download or read book Chemical Engineering written by Tanase Gh. Dobre and published by John Wiley & Sons. This book was released on 2007-06-18 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: A description of the use of computer aided modeling and simulation in the development, integration and optimization of industrial processes. The two authors elucidate the entire procedure step-by-step, from basic mathematical modeling to result interpretation and full-scale process performance analysis. They further demonstrate similitude comparisons of experimental results from different systems as a tool for broadening the applicability of the calculation methods. Throughout, the book adopts a very practical approach, addressing actual problems and projects likely to be encountered by the reader, as well as fundamentals and solution strategies for complex problems. It is thus equally useful for student and professional engineers and chemists involved in industrial process and production plant design, construction or upgrading.
Author : S. S. E. H. Elnashaie
Publisher : CRC Press
ISBN 13 : 9782884490788
Total Pages : 676 pages
Book Rating : 4.4/5 (97 download)
Download or read book Dynamic Modelling, Bifurcation and Chaotic Behaviour of Gas-Solid Catalytic Reactors written by S. S. E. H. Elnashaie and published by CRC Press. This book was released on 1996-03-18 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Leticia González
Publisher : John Wiley & Sons
ISBN 13 : 1119417759
Total Pages : 52 pages
Book Rating : 4.1/5 (194 download)
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Author : Michael L. Deaton
Publisher : Springer Science & Business Media
ISBN 13 : 1461213002
Total Pages : 210 pages
Book Rating : 4.4/5 (612 download)
Download or read book Dynamic Modeling of Environmental Systems written by Michael L. Deaton and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: A primer on modeling concepts and applications that is specifically geared toward the environmental field. Sections on modeling terminology, the uses of models, the model-building process, and the interpretation of output provide the foundation for detailed applications. After an introduction to the basics of dynamic modeling, the book leads students through an analysis of several environmental problems, including surface-water pollution, matter-cycling disruptions, and global warming. The scientific and technical context is provided for each problem, and the methods for analyzing and designing appropriate modeling approaches is provided. While the mathematical content does not exceed the level of a first-semester calculus course, the book gives students all of the background, examples, and practice exercises needed both to use and understand environmental modeling. It is suitable for upper-level undergraduate and beginning-graduate level environmental professionals seeking an introduction to modeling in their field.
Author : National Research Council Canada
Publisher : NRC Research Press
ISBN 13 : 9780660190891
Total Pages : 510 pages
Book Rating : 4.1/5 (98 download)
Download or read book Chemistry as a Diagnostic of Star Formation written by National Research Council Canada and published by NRC Research Press. This book was released on 2003 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication contains presentations & poster papers of a conference that focussed on the many aspects of astrochemistry related to star formation. Topics covered include: the next generation of telescopes & detectors; studies of fundamental chemical processes both in the lab & in the field; an exploration of the connections between chemistry & physics in star-forming regions; the unique problems of high-mass star formation; the formation of hydrogen; deuterated molecules; molecular depletion; observations & modelling of embedded protostars; accretion disks & circumstellar disks; interstellar dust; and the chemistry, physical conditions, & structure of dark clouds. Includes indexes of subjects, authors, & astronomical objects.
Author : Valeriy I. Bykov
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110464942
Total Pages : 374 pages
Book Rating : 4.1/5 (14 download)
Download or read book Chemical Complexity via Simple Models written by Valeriy I. Bykov and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-01-22 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is focused on mathematical modelling of chemical kinetics. The authors present the classification of basic models of chemical kinetics, thermokinetics and macrokinetics, as well as their application for the most important chemical transformations, such as combustion and catalysis. Readers will find a detailed description and analysis of different mathematical instruments which can be applied for simulation of reaction dynamics.
Author : Amit Agarwal
Publisher : Springer Science & Business
ISBN 13 : 3319062727
Total Pages : 354 pages
Book Rating : 4.3/5 (19 download)
Download or read book Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry written by Amit Agarwal and published by Springer Science & Business. This book was released on 2014-04-23 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Amit Agarwal’s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.
Author : Lucia Banci
Publisher : Springer Science & Business Media
ISBN 13 : 9401151717
Total Pages : 471 pages
Book Rating : 4.4/5 (11 download)
Download or read book Molecular Modeling and Dynamics of Bioinorganic Systems written by Lucia Banci and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique selection of papers on the most recent progress in the modelling of biological molecules containing metal ions. New approaches and techniques in this field are allowing researchers to discuss structures, electronic properties and reaction mechanisms of metalloproteins on the basis of computational studies. The book discusses different approaches in the development of new force fields and their application to the computation of the structures, electronic properties and dynamics of bioinorganic compounds as well as quantum mechanical and integrated QM/MM methods for understanding the function of metalloenzymes and the calculation of electrostatic interactions.
Author : Joel M Bowman
Publisher : World Scientific
ISBN 13 : 9811237921
Total Pages : 603 pages
Book Rating : 4.8/5 (112 download)
Download or read book Vibrational Dynamics Of Molecules written by Joel M Bowman and published by World Scientific. This book was released on 2022-06-14 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The chapter contributors are a Who's Who of world leaders in the field. The editor, Joel Bowman, is widely considered as one of the founding fathers of theoretical reaction dynamics. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods, to interesting applications such as astrochemistry, supramolecular systems and virtual computational spectroscopy. This is a useful reference for theoretical chemists, spectroscopists, physicists, undergraduate and graduate students, lecturers and software developers.
Author : Guy P. Brasseur
Publisher : Cambridge University Press
ISBN 13 : 1108210953
Total Pages : 631 pages
Book Rating : 4.1/5 (82 download)
Download or read book Modeling of Atmospheric Chemistry written by Guy P. Brasseur and published by Cambridge University Press. This book was released on 2017-06-19 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical modeling of atmospheric composition is a formidable scientific and computational challenge. This comprehensive presentation of the modeling methods used in atmospheric chemistry focuses on both theory and practice, from the fundamental principles behind models, through to their applications in interpreting observations. An encyclopaedic coverage of methods used in atmospheric modeling, including their advantages and disadvantages, makes this a one-stop resource with a large scope. Particular emphasis is given to the mathematical formulation of chemical, radiative, and aerosol processes; advection and turbulent transport; emission and deposition processes; as well as major chapters on model evaluation and inverse modeling. The modeling of atmospheric chemistry is an intrinsically interdisciplinary endeavour, bringing together meteorology, radiative transfer, physical chemistry and biogeochemistry, making the book of value to a broad readership. Introductory chapters and a review of the relevant mathematics make this book instantly accessible to graduate students and researchers in the atmospheric sciences.
Author : Lemont B. Kier
Publisher : Springer Science & Business Media
ISBN 13 : 1402036906
Total Pages : 177 pages
Book Rating : 4.4/5 (2 download)
Download or read book Modeling Chemical Systems using Cellular Automata written by Lemont B. Kier and published by Springer Science & Business Media. This book was released on 2006-02-23 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models. It then gives detailed descriptions, with examples and exercises, of how cellular automata models can be used in the study of a wide variety chemical, physical, and biochemical phenomena. Topics covered include models of water itself, solution phenomena, solution interactions with stationary systems, first- and second-order kinetic phenomena, enzyme kinetics, vapor-liquid equilibrium, and atomic and molecular excited-state kinetics. The student experiences these systems through hands-on examples and guided studies. This book is the first of its kind: a textbook and a laboratory manual about cellular automata modeling of common systems in chemistry. The book is designed to be used as a text in undergraduate courses dealing with complex systems and/or as a computational supplement to laboratory courses taught at the undergraduate level. The book includes: - Compact descriptions of a large variety of physical and chemical phenomena - Illustrative examples of simulations, with exercises for further study - An instructor's manual for use of the program The book will be of great value in undergraduate courses in chemistry, physics, biology, applied mathematics, and bioinformatics, and as a supplement for laboratory courses in introductory chemistry, organic chemistry, physical chemistry, medicinal chemistry, chemical engineering and other courses dealing with statistical and dynamic systems. It allows the exploration of a wide range of dynamic phenomena, many of which are not normally accessible within conventional laboratory settings due to limitations of time, cost, and experimental equipment. The book is both a textbook on applied Cellular Automata and a lab manual for chemistry (physics, engineering) courses with lab activity. It would supplement other lab work and be an additonal book the students would use in the course. The authors have assessed the emerging need for this kind of activity in science labs because of the cost of the practical activitites and the frequent failure of some exercises leading to lost didactic value of some experiments. This book is pioneering an alternative that will grow in use. There are no course directors who would use Cellular Automata exclusively. The authors see an emerging interest in this kind of work in courses that contain lab exercises. One such course is the graduate course that Lemont Kier gives in Life Sciences about complexity. He uses many examples and studies from Cellular Automata in the latter part of this course.
Author : Guy P. Brasseur
Publisher : Cambridge University Press
ISBN 13 : 1107146968
Total Pages : 631 pages
Book Rating : 4.1/5 (71 download)
Download or read book Modeling of Atmospheric Chemistry written by Guy P. Brasseur and published by Cambridge University Press. This book was released on 2017-06-19 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the fundamental principles, mathematical methods and applications of atmospheric chemistry models for graduate students and researchers.
