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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.
Chemical kinetics -- Mathematics -- Data processing. --- Maple (Computer file). --- MathCAD. --- Chemical kinetics --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- Chemical kinetics. --- Maple (Computer file) --- Chemical reaction, Kinetics of --- Chemical reaction, Rate of --- Chemical reaction, Velocity of --- Chemical reaction rate --- Chemical reaction velocity --- Kinetics, Chemical --- Rate of chemical reaction --- Reaction rate (Chemistry) --- Velocity of chemical reaction --- Chemistry. --- Chemoinformatics. --- Physical chemistry. --- Bioinformatics. --- Computational biology. --- Computer software. --- Physical Chemistry. --- Mathematical Software. --- Computer Appl. in Life Sciences. --- Computer Applications in Chemistry. --- Chemical affinity --- Reactivity (Chemistry) --- Chemistry, Physical organic. --- Biology --- Data processing. --- Physical sciences --- Software, Computer --- Computer systems --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Bioinformatics . --- Computational biology . --- Chemical informatics --- Chemiinformatics --- Chemoinformatics --- Chemistry informatics --- Information science --- Computational chemistry --- Bioinformatics --- Bio-informatics --- Biological informatics --- Computational biology --- Systems biology --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Data processing
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