Physical Chemistry and Kinetics of Explosions

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Course Unit Code619-3011/01
Number of ECTS Credits Allocated5 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *Second Cycle
Year of Study *First Year
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites
PrerequisitiesCourse Unit CodeCourse Unit Title
619-0403Physical Chemistry Fundamentals of Combustion and Explosion Processes
Name of Lecturer(s)Personal IDName
R1E37doc. Ing. Lenka Řeháčková, Ph.D.
Summary
Application of the physico-chemical laws on the processes of combustion,
explosion and extiguishing.
Learning Outcomes of the Course Unit
- 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
Course Contents
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.
Recommended or Required Reading
Required Reading:
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 York. 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:
Warnatz,J., Maas,U., Dibble,R.W. Combustion. Physical and Chemical
Fundamentals, Modelling and Simulation, Experiments, Pollutant Formation.
Springer-Verlag Berlin Heidelberg New York. 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.
MOORE,W.J. Fyzikální chemie. Praha: SNTL, 1979. 974 s.
KELLÖ,V., TKÁČ,A. Fyzikálna chemia. Bratislava: Alfa, 1977. 778 s.
Planned learning activities and teaching methods
Lectures, Individual consultations, Tutorials
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Credit and ExaminationCredit and Examination100 (100)51
        CreditCredit38 (38)12
                PísemkaWritten test36 0
                Jiný typ úlohyOther task type2 0
        ExaminationExamination62 (62)16
                Písemná zkouškaWritten examination12 4
                Ústní zkouškaOral examination50 12