Chemical Kinetics with Mathcad and Maple
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 nume
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Viktor I. Korobov
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Valery F. Ochkov
Chemical Kinetics with Mathcad and Maple
SpringerWienNewYork
Ph.D. Viktor I. Korobov Dnipropetrovsk National University Department of Physical and Inorganic Chemistry Gagarin Avenue 72 49050 Dnipropetrovsk Ukraine [email protected] http://twt.mpei.ac.ru/TTHB/korobov.html
Professor Valery F. Ochkov Moscow Power Engineering Institute (TU) Krasnokazarmennaya st. 14 Moscow Russia [email protected] http://twt.mpei.ac.ru/ochkov/v_ochkov. htm
This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically those of translation, reprinting, re-use of illustrations, broadcasting, reproduction by photocopying machines or similar means, and storage in data banks. Product Liability: The publisher can give no guarantee for all the information contained in this book. The use of registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. # 2011 Springer-Verlag/Wien Printed in Germany SpringerWienNewYork is a part of Springer Science+Business Media springer.at Cover design: WMXDesign GmbH, Heidelberg, Germany Typesetting: SPi, Pondicherry, India Printed on acid-free and chlorine-free bleached paper SPIN: 80029760 Library of Congress Control Number: 2011928800 ISBN 978-3-7091-0530-6 e-ISBN 978-3-7091-0531-3 DOI 10.1007/978-3-7091-0531-3 SpringerWienNewYork
Preface
Chemical kinetics is one of the parts of physical chemistry with the most developed mathematical description. Studying basics of chemical kinetics and successful practical application of knowledge obtained demand proficiency in mathematical formalization of certain problems on kinetics and making rather sophisticated calculations. In this respect, it is difficult or sometimes even impossible to make considerable part of such calculation without using a computer. With a mass of literature on chemical kinetics the problems of practical computing the kinetics are not actually discussed. For this reason the authors consider useful to state basics of the formal kinetics of chemical reactions and approaches to two main kinetic problems, direct and inverse, in terms of up-to-date mathematical packages Maple and Mathcad. Why did the authors choose these packages? The history of using computers for scientific and technical calculation can be conveniently divided into three stages: l l l
Work with absolute codes Programming using high-level languages Using mathematical packages such as Mathcad, Maple, Matlab,1 Mathematica, MuPAD, Derive, Statistica, etc.
There are no clear boundaries between listed stages (information technologies). Working in mathematical program one may insert an Excel table,2 as the need arose, or some user functions written in C language, which codes contain fragments of assembler. Besides, absolute codes are still using in calculators, which are of great utility in scientific an
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