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Physical Chemistry and Kinetics of Explosions

Type of study Follow-up Master
Language of instruction Czech
Code 651-3025/01
Abbreviation FCHaKE
Course title Physical Chemistry and Kinetics of Explosions
Credits 4
Coordinating department Department of Chemistry and Physico-Chemical Processes
Course coordinator doc. Ing. Lenka Řeháčková, Ph.D.

Subject syllabus

1. Introduction to the subject. The First law of thermodynamics, definition, signification, constant pressure heat, constant volume heat, enthalpy.
Theoretical calculation of reaction heats. Heat of combustion. Heat of explosion. Variation of the reaction heat with temperature - Kirchhoff’s equations and their utilization. Adiabatic reaction temperature.

2. The second law of thermodynamics. Thermodynamic potentials – Helmholtz and Gibbs free energy, significance and application. Chemical equilibrium.

3. Phase equilibrium. Gibbs phase rule, phase diagram of a one-component system (phase diagram for water). Evaporation of pure liquid. Clapeyron and Clausius-Clapeyron equation. Solutions, Raoult’s law. Distillation.

4. Chemical kinetics, basic terms - rate of chemical reaction, law of mass action, (Guldberg-Waage law), molecularity, order of reaction. Kinetics of first-order reactions, reaction half-life. Second-order reactions, nth-order reactions. Mechanisms of chemical reactions, rate-determining steps in consecutive and parallel reactions.

5. Temperature dependence of the rate of a chemical reaction - Arrhenius equation. Activation energy of chemical reaction – temperature dependence. Pressure dependence of the rate of a chemical reaction. Effect of concentration on reaction rate. Principles of catalysis, effect of catalysts and inhibitors on chemical reaction rate.

6. Collision theory of reaction rate. Activated-complex theory - theory of absolute reaction rates.

7. Kinetics of heterogeneous chemical reactions - elementary reaction steps in heterogenous process, diffusion, laws of diffusion and mathematical solution.

8. Consecutive and parallel diffusion, diffusion folloved by chemical reaction on phase interface.

9. Adsorption, adsorption of gases on solid surfaces, Freundlich and Langmuir adsorption isotherm. Adsorption folloved by chemical reaction on phase interface. Adsorption from liquid solutions, Gibbs adsorption isotherm.

10. Mechanism of burning reaction, theory of chain reactions - mathematical solution of differential equations.

11. Theory of thermal autoignition, flame temperature, calculation and graphic methods of flame temperature determination.

12. Dispersion explosive systems, general characteristics and concepts. Colloidal-dispersion systems and their properties. Adsorption from solution. Heterogeneous colloidal dispersions.

13. Theory of burning dispersion systems, hot cores. Burning mechanism of dust dispersions, kinetic and diffusion burning.

Literature

ATKINS, P. W. a Julio DE PAULA. Atkins' Physical chemistry. 10th ed. Oxford: Oxford University Press, c2014. ISBN 978-0-19-969740-3 .

WARNATZ, Jürgen, Robert W DIBBLE a Ulrich MAAS. Combustion: physical and chemical fundamentals, modelling and simulation, experiments, pollutant formation. Berlin: Springer, c1996. ISBN 3-540-60730-7.

Advised literature

ATKINS, P. W. The elements of physical chemistry. 2nd ed. Oxford: Oxford University Press, c1996. ISBN 0-19-855953-4.

STRAHLE, Warren C. An introduction to combustion. Langhorne: Gordon and Breach, c1993. Combustion science and technology book series, vol. 1. ISBN 2-88124-586-2.