chemical kinetics with mathcad and maple

[...]... reaction goes Chemical kinetics is a self-contained branch of chemical knowledge, which investigates the mechanisms of the reactions and the patterns of their passing in time, and which gives us the answers to questions from above Chemical kinetics together with chemical thermodynamics forms two corner stones of the chemical knowledge However, classic thermodynamic approach to the description of the chemical. .. concept of reactionary space differs depending on the nature of the reaction In the homogeneous system the V.I Korobov and V.F Ochkov, Chemical Kinetics with Mathcad and Maple, DOI 10.1007/978-3-7091-0531-3_1, # Springer-Verlag/Wien 2011 1 2 1 Formally-Kinetic Description of One- and Two-Step Reactions reaction is carried out in the whole volume, whereas in the heterogeneous system – at the phase interface... One- and Two-Step Reactions 1.1 Main Concepts of Chemical Kinetics We must accept that in order to describe the chemical system it is urgent for us to know the exact way it follows during the transformation of the reagents into the products of the reaction Knowledge of that kind gives us a possibility to command chemical transformation deliberately In other words, we need to know the mechanism of the chemical. .. Inverse Chemical Kinetics Problem 4.4.1 Reversible Reaction with Dimerization of an Intermediate 115 115 117 117 120 123 125 126 128 132 133 137 141 148 148 Introduction into Electrochemical Kinetics 5.1 General Features of Electrode Processes 5.2 Kinetics of the Slow Discharge-Ionization Step 5.3 Electrochemical... Comments in Mathcad Worksheets Calculation with Physical Quantities: Problems and Solutions Three Dimensions of Mathcad Worksheets Mathcad Plots Animation and Pseudo-Animation Mathcad Application Server ... in most cases are not equal to the stoichiometric coefficients There are direct and inverse problems of chemical kinetics Starting point for solution of the direct problem of chemical kinetics is a kinetic scheme of the reaction, which reflects assumed mechanism of the chemical transformation The mechanism in terms of formal kinetics is a certain totality of the elementary stages (elementary reactions),... not be solved by means of Mathcad symbolic core “directly” We definitely can differentiate it with respect to variable t and get linear inhomogeneous differential equation of second-order with respect to derivative After that we can use the methodic of getting partial solution, given nearly in every handbook of differential equations However it will mainly be a “hand” work, and not a computational calculation... : ln 0 0 CA0 À CB0 CA0 ½CB0 À xðtފ Getting corresponding equations and the calculation of the kinetic curves by the means of Mathcad is shown in Fig 1.6 Now we discuss the questions of the kinetics of the reactions of various orders, and in many respects we consider order as a formal value, and do not use the specific examples of chemical transformations Essentially, this is the very peculiarity of... stoichiometric coefficient is taken with the positive sign, if in this particular stage the substance is formed, and with the negative sign, if it is expended Let us illustrate the essence of this principle with the example of the interaction between the nitric (III) oxide and chlorine due to the overall reaction: 2NO þ Cl2 ! 2NOCl: 12 1 Formally-Kinetic Description of One- and Two-Step Reactions Reductive... constant does not depend on the concentrations of the substances and on 1.1 Main Concepts of Chemical Kinetics 3 time, but for most reactions it depends on the temperature The exponent of concentrations n is called a reaction order for i substance To understand this notion we need to define simple and complex reaction It is assumed in the formal kinetics that if the transition of the unconfigured reagents . Korobov l 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. 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. free and shorten version, Mathcad Explorer, together with the eighth Mathcad release. Mathcad Explorer enabled us to open Mathcad files and calculate by them but not edit and save the documents on disks.