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Physical Chemistry Fundamentals of Combustion and Explosion Processes

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Course Unit Code619-0403/01
Number of ECTS Credits Allocated5 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *First Cycle
Year of Study *Second Year
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites Course succeeds to compulsory courses of previous semester
Name of Lecturer(s)Personal IDName
DOB30prof. Ing. Jana Dobrovská, CSc.
R1E37doc. Ing. Lenka Řeháčková, Ph.D.
Summary
Application of the physico-chemical laws on the processes of combustion,
explosion and extinguishing.
Learning Outcomes of the Course Unit
- to formulate thermodynamic quantities, laws and criteria of chemical and phase
equilibrium
- to use the basic terms and relations in homogeneous and heterogeneous kinetics
- to apply gained theoretical knowledge on the processes of combustion, explosion and
extinguishing
Course Contents
Gases, ideal gas, equation of state of an ideal gas, real gases, Van der Waals equation of state, Abel equation.

Heat capacities of substances – definition, variation of heat capacities with temperature, difference in the molar heat capacities between the products and reactants.
The first law of thermodynamics, definition, signification, constant pressure heat, constant volume heat, enthalpy. Heating and cooling of substances.
Heats of reaction. Thermochemistry laws, theoretical calculation of reaction heats. Heats of combustion. Heat of explosion. Variation of the reaction heat with temperature - Kirchhoff’s equations and their utilization. Adiabatic reaction temperature.
The second law of thermodynamics, entropy. Thermodynamic potentials – Helmholtz and Gibbs free energy, significance and application.

Chemical equilibriums, equilibrium constants for homogeneous nad heterogeneous chemical reactions. Van´t Hoff reaction isotherm. Degree of conversion. Effect of temperature on chemical equilibrium.
Phase equilibrium. Evaporation of pure liquid. Clausius-Clapeyron equation.
Solutions, Raoult’s law.

Chemical kinetics, basic terms - rate of chemical reaction, law of mass action, (Guldberg-Waage law), molecularity, order of reaction, reaction mechanism.
Kinetics of first-order reactions, reaction half-life.
Temperature and pressure dependence of the rate of a chemical reaction. Effect of concentration on reaction rates.
Kinetics of heterogeneous chemical reactions - elementary steps in heterogenous process, diffusion, laws of diffusion. Adsorption, adsorption of gases on solid surfaces, Freundlich adsorption isotherm.

Mechanism of combustion reaction, theory of chain reactions, theory of thermal spontaneous ignition.
Ignition limit, first, second and third pressure ignition limit.
Heterogeneous and homogeneous combustion. Kinetic and diffusion combustion.
Adiabatic (theoretical) flame temperature.
Combustible compositions and combustion products. Specific combustion heat and specific caloric power.
Combustion of fuels. Amount of oxygen and air for combustion. Mechanism of explosive transformations.
Explosive hazards. Theory of extinguishing, physicochemical 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 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.
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.
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
Lectures, Individual consultations, Tutorials
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Exercises evaluation and ExaminationCredit and Examination100 (100)51
        Exercises evaluationCredit38 (38)12
                Written examWritten test36 0
                Other task typeOther task type2 0
        ExaminationExamination62 (62)16
                Written examinationWritten examination12 4
                OralOral examination50 12