| Course Unit Code | Course Unit Title | Number of ECTS Credits Allocated |
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| 619-0809/01 | Physical Chemistry and Kinetics of Explosions | 5 ECTS credits |
| Type of Course Unit | Compulsory |
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| Level of Course Unit | Second Cycle |
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| Year of Study | First Year |
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| Semester when the Course Unit is delivered | Winter Semester |
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| Mode of Delivery | Face-to-face |
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| Language of Instruction | Czech, English |
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| Prerequisites and Co-Requisites | There are no prerequisites or co-requisites for this course unit |
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| Name of Lecturer(s) | Personal ID | Name |
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| DOB36 | prof. Ing. Ľudovít Dobrovský, CSc.,Dr.h.c. |
| DOB30 | prof. Ing. Jana Dobrovská, CSc. |
| R1E37 | doc. Ing. Lenka Řeháčková, Ph.D. |
| Learning Outcomes of the Course Unit |
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- to define the thermodynamic quantities and thermodynamic laws
- to describe the chemical equilibrium – to monitor the dependence of the equilibrium
constant on state variables (dependence on temperature, dependence on pressure) –
to utilize Le Chatelier’s principle (effect of initial composition, pressure and inert
component on the equilibrium composition)
- to describe the phase equilibrium - Gibbs phase rule, phase equilibria of pure
substances and liquid-vapour equilibrium in mixtures
- to define and apply basic principles of chemical kinetics - rate of chemical reaction,
kinetic equation, order of reaction, rate constant, the theory of reaction rates
- to describe basic steps of heterogeneous process - physical processes limiting
kinetics of heterogeneous processes, diffusion, the Fick's first and second law,
adsorption, adsorption isotherms
- to apply the chemical thermodynamics a kinetics on the processes of combustion,
explosion and extinguishing
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| Recommended Optional Programme Components |
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| No other activities required.
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| Course Contents |
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1) Gases, ideal gas, equation of state of an ideal gas, special cases, real gases, critical state,
Van der Waals equation of state, Abel equation, virial equation of state and virial coefficients,
compressibility factor, fugacity.
2) Heat capacities of substances – definition, mean heat capacity, variation of heat capacities with
temperature, difference in the molar heat capacities between the products and reactants, experimental
calorimetric determination of heat capacity – principle of method.
3) The First law of thermodynamics, definition, signification, constant pressure heat, constant volume
heat, enthalpy. Thermodynamic definition of molar heat capacities
4) Heating and cooling of substances. Heats of reaction
5) Thermochemistry laws. Theoretical calculation of reaction heats. Heat of combustion. Heat of
explosion.
6) Variation of the reaction heat with temperature - Kirchhoff’s equations and their utilization. Adiabatic
reaction temperature.
7) Adiabatic reaction temperature.
8) The second law of thermodynamics, entropy and its temperature dependence, entropy change of the
reaction and its temperature dependence, entropy change - pressure and volume dependence.
9) Thermodynamic potentials – Helmholtz and Gibbs free energy, significance and application.
10) Helmholtz and Gibbs free energy – temperature dependence
11) Partial molar quantities. The chemical potential.
12) Types of equilibrium constants for homogeneous nad heterogeneous chemical reactions. Van´t Hoff
reaction isotherm. Degree of conversion.
13) Effect of temperature on chemical equilibrium - Van't Hoff reaction isobare and isochore.
14) 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.
15) Solutions, Raoult’s law. Distillation, constant pressure and constant temperature phase diagram.
16) Transport processes, heat, matter and momentum transfer.
17) Chemical kinetics, basic terms - rate of chemical reaction, law of mass action, (Guldberg-Waage
law), molecularity, order of reaction.
18) Kinetics of first-order reactions, reaction half-life.
19) Second-order reactions, nth-order reactions.
20) Mechanisms of chemical reactions, rate-determining steps in consecutive and parallel reactions.
21) Temperature dependence of the rate of a chemical reaction - Arrhenius equation. Activation energy of
chemical reaction – temperature dependence.
22) Pressure dependence of the rate of a chemical reaction
23) Effect of concentration on reaction rate.
24) Collision theory of reaction rate
25) Activated-complex theory - theory of absolute reaction rates
26) Principles of catalysis, effect of catalysts and inhibitors on chemical reaction rate.
27) Kinetics of heterogeneous chemical reactions - elementary reaction steps in heterogenous process,
diffusion, laws of diffusion and mathematical solution
28) Consecutive and parallel diffusion, diffusion folloved by chemical reaction on phase interface
29) Adsorption, adsorption of gases on solid surfaces, Freundlich and Langmuir adsorption isotherm.
Adsorption folloved by chemical reaction on phase interface.
30) Adsorption from liquid solutions, Gibbs adsorption isotherm
31) Colloidal chemistry
32) Mechanism of burning reaction, theory of chain reactions - mathematical solution of differential
equations
33) Ignition limit, first, second and third pressure ignition limit.
34) Theory of thermal autoignition, flame temperature, calculation and graphic methods of flame
temperature determination
35) Homogeneous and heterogeneous burning.. Kinetic and diffusion burning..
36) Adiabatic (theoretical) flame temperature.
37) Combustible composition and burning products. Specific combustion heat and specific caloric power.
38) Combustion of solid and liquid fuels. Amount of oxygen and air for burning..
39) Combustion of gaseous fuels. Amount of oxygen and air for burning.
40) Explosive substances, thermal decomposition.
41) Mechanism of explosive transformations, explosive burning, explosion time of second order,
detonation.
42) Detonation, physico-mathematical model of detonation, detonation characteristics.
43) Explosive hazards. Theory of extinguishing, physico-chemical principles.
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| Recommended or Required Reading |
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| Required Reading: |
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Atkins,P.W., Physical Chemistry. Fourth Edition, Oxford: Oxford University
Press, 1993. 995 p.
Warnatz,J., Maas,U., Dibble,R.W., Combustion. Physical and Chemical
Fundamentals, Modelling and Simulation, Experiments, Pollutant Formation.
Springer-Verlag Berlin Heidelberg New Uork. 1996. 265 p.
|
Kalousek,J.:Základy fyzikální chemie hoření, výbuchu a hašení. Edice SPBI
Spektrum, Ostrava, 2000 (II. vydání)
Kalousek.J. – Dobrovský, Ľ. : Základy fyzikální chemie. Ostrava, VŠB 1985. 155 s.
Atkins,P.W., Physical Chemistry. Fourth Edition, Oxford: Oxford University Press, 1993. 995 p.
|
| Recommended Reading: |
|---|
Warren Strahle C., An Introduction to Combustion. Gordon and Breach Science
Publishers. Combustion Science and Technology Book Series.Volume 1. 1993. 166p.
|
Warnatz,J., Maas,U., Dibble,R.W., Combustion. Physical and Chemical
Fundamentals, Modelling and Simulation, Experiments, Pollutant Formation.
Springer-Verlag Berlin Heidelberg New Uork. 1996. 265 p.
Warren Strahle C., An Introduction to Combustion. Gordon and Breach Science
Publishers. Combustion Science and Technology Book Series.Volume 1. 1993. 166p.
|
| Planned learning activities and teaching methods |
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| Lectures, Individual consultations, Tutorials |
| Assesment methods and criteria |
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| Tasks are not Defined |
| Work placement(s) |
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| Work placements are not required.
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