Chemical Kinetics with Mathcad and Maple
Chemical Kinetics with Mathcad and Maple

Author: Viktor Korobov

Publisher: Springer Science & Business Media

Published: 2011-05-26

Total Pages: 353

ISBN-13: 3709105315

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The authors explain at length the principles of chemical kinetics and approaches to computerized calculations in modern software suites — mathcad and maple. Mathematics is crucial in determining correlations in chemical processes and requires various numerical approaches. Often significant issues with mathematical formalizations of chemical problems arise and many kinetic problems can ́t be solved without computers. Numerous problems encountered in solving kinetics ́ calculations with detailed descriptions of the numerical tools are given. Special attention is given to electrochemical reactions, which fills a gap in existing texts not covering this topic in detail. The material demonstrates how these suites provide quick and precise behavior predictions for a system over time (for postulated mechanisms).Examples, i.e., oscillating and non-isothermal reactions, help explain the use of mathcad more efficiently. Also included are the results of authors’ own research toward effective computations.

Molecular Chemistry and Biomolecular Engineering
Molecular Chemistry and Biomolecular Engineering

Author: Lionello Pogliani

Publisher: CRC Press

Published: 2019-09-30

Total Pages: 173

ISBN-13: 042959402X

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This new volume is devoted to molecular chemistry and its applications to the fields of biology. It looks at the integration of molecular chemistry with biomolecular engineering, with the goal of creating new biological or physical properties to address scientific or societal challenges. It takes a both multidisciplinary and interdisciplinary perspective on the interface between molecular biology, biophysical chemistry, and chemical engineering. Molecular Chemistry and Biomolecular Engineering: Integrating Theory and Research with Practice provides effective support for the development of the laboratory and data analysis skills that researchers will draw on time and again for the practical aspects and also gives a solid grounding in the broader transferable skills.

Reaction Kinetics: Exercises, Programs and Theorems
Reaction Kinetics: Exercises, Programs and Theorems

Author: János Tóth

Publisher: Springer

Published: 2018-09-18

Total Pages: 476

ISBN-13: 1493986430

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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.

Modeling of Chemical Kinetics and Reactor Design
Modeling of Chemical Kinetics and Reactor Design

Author: A. Kayode Coker

Publisher: Gulf Professional Publishing

Published: 2001-07-26

Total Pages: 1132

ISBN-13: 9780884154815

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This reference conveys a basic understanding of chemical reactor design methodologies that incorporate both control and hazard analysis. It demonstrates how to select the best reactor for any particular chemical reaction, and how to estimate its size to determine the best operating conditions.

Stochasticity in Processes
Stochasticity in Processes

Author: Peter Schuster

Publisher: Springer

Published: 2016-10-14

Total Pages: 728

ISBN-13: 3319395025

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This book has developed over the past fifteen years from a modern course on stochastic chemical kinetics for graduate students in physics, chemistry and biology. The first part presents a systematic collection of the mathematical background material needed to understand probability, statistics, and stochastic processes as a prerequisite for the increasingly challenging practical applications in chemistry and the life sciences examined in the second part. Recent advances in the development of new techniques and in the resolution of conventional experiments at nano-scales have been tremendous: today molecular spectroscopy can provide insights into processes down to scales at which current theories at the interface of physics, chemistry and the life sciences cannot be successful without a firm grasp of randomness and its sources. Routinely measured data is now sufficiently accurate to allow the direct recording of fluctuations. As a result, the sampling of data and the modeling of relevant processes are doomed to produce artifacts in interpretation unless the observer has a solid background in the mathematics of limited reproducibility. The material covered is presented in a modular approach, allowing more advanced sections to be skipped if the reader is primarily interested in applications. At the same time, most derivations of analytical solutions for the selected examples are provided in full length to guide more advanced readers in their attempts to derive solutions on their own. The book employs uniform notation throughout, and a glossary has been added to define the most important notions discussed.

25 Problems for STEM Education
25 Problems for STEM Education

Author: Valery Ochkov

Publisher: CRC Press

Published: 2020-01-31

Total Pages: 528

ISBN-13: 1000762904

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25 Problems for STEM Education introduces a new and emerging course for undergraduate STEM programs called Physical-Mathematical Informatics. This course corresponds with the new direction in education called STE(A)M (Science, Technology, Engineering, [Art] and Mathematics). The book focuses on undergraduate university students (and high school students), as well as the teachers of mathematics, physics, chemistry and other disciplines such as the humanities. This book is suitable for readers who have a basic understanding of mathematics and math software. Features Contains 32 interesting problems (studies) and new and unique methods of solving these physical and mathematical problems using a computer as well as new methods of teaching mathematics and physics Suitable for students in advanced high school courses and undergraduates, as well as for students studying Mathematical Education at the Master’s or PhD level One of the only books that attempts to bring together ST(E)AM techniques, computational mathematics and informatics in a single, unified format

Principles of Chemical Kinetics
Principles of Chemical Kinetics

Author: Gorden Hammes

Publisher: Elsevier

Published: 2012-12-02

Total Pages: 281

ISBN-13: 0323157963

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Principles of Chemical Kinetics is devoted to the principles and applications of chemical kinetics. The phenomenology and commonly used theories of chemical kinetics are presented in a critical manner, with particular emphasis on collision dynamics. How and what mechanistic information can be obtained from various experimental approaches is stressed throughout this book. Comprised of nine chapters, this text opens with an overview of reaction rates and their empirical analysis, along with theories of chemical kinetics. The following chapters consider reactions and unimolecular decompositions in the gas phase; chemical reactions in molecular beams; and energy transfer and partitioning in chemical reactions. Kinetics in liquid solutions and fast reactions in liquids are also described. The final chapter looks at the kinetics of enzymes, with particular reference to steady state and transient state kinetics, the pH and temperature dependence of kinetic parameters, and the mechanism underlying enzymatic action. This monograph is intended for students with a general college background in chemistry, physics, and mathematics, and with a typical undergraduate course in physical chemistry.

Kinetics of Chemical Reactions
Kinetics of Chemical Reactions

Author: Guy B. Marin

Publisher: John Wiley & Sons

Published: 2019-04-29

Total Pages: 462

ISBN-13: 3527342958

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This second, extended and updated edition presents the current state of kinetics of chemical reactions, combining basic knowledge with results recently obtained at the frontier of science. Special attention is paid to the problem of the chemical reaction complexity with theoretical and methodological concepts illustrated throughout by numerous examples taken from heterogeneous catalysis combustion and enzyme processes. Of great interest to graduate students in both chemistry and chemical engineering.

Kinetics of Chemical Reactions
Kinetics of Chemical Reactions

Author: Guy B. Marin

Publisher: John Wiley & Sons

Published: 2011-08-29

Total Pages: 451

ISBN-13: 3527317635

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This systematic presentation covers both experimental and theoretical kinetic methods, as well as fundamental and applied. The identification of dominant reaction paths, reaction intermediates and rate-determining steps allows a quantification of the effects of reaction conditions and catalyst properties, providing guidelines for catalyst optimization. In addition, the form in which the equations are presented allows for their straightforward implementation for scale-up and chemical reactor design purposes. Throughout, the methodologies given are illustrated by many examples.

Advanced Chemical Kinetics
Advanced Chemical Kinetics

Author: Muhammad Akhyar Farrukh

Publisher: BoD – Books on Demand

Published: 2018-02-21

Total Pages: 226

ISBN-13: 9535138154

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The book on Advanced Chemical Kinetics gives insight into different aspects of chemical reactions both at the bulk and nanoscale level and covers topics from basic to high class. This book has been divided into three sections: (i) "Kinetics Modeling and Mechanism," (ii) "Kinetics of Nanomaterials," and (iii) "Kinetics Techniques." The first section consists of six chapters with a variety of topics like activation energy and complexity of chemical reactions; the measurement of reaction routes; mathematical modeling analysis and simulation of enzyme kinetics; mechanisms of homogeneous charge compression ignition combustion for the fuels; photophysical processes and photochemical changes; the mechanism of hydroxyl radical, hydrate electron, and hydrogen atom; and acceptorless alcohol dehydrogenation. The understanding of the kinetics of nanomaterials, to bridge the knowledge gap, is presented in the second section. The third section highlights an overview of experimental techniques used to study the mechanism of reactions.