Dynamics of chemical systems

Define and measure reaction rates: evolution of a reaction medium chemical reactors material balance.
Identify and interpret the influence of various parameters: temperature, pressure, light, catalysis, etc.
Design reaction mechanisms.

Basics of ordinary differential equations and statistical thermodynamics. Define and integrate a speed law (CPGE program).

Breakdown:
5 x 1hr20 lecture slots, 5 x 1hr20 tutorial slots and 1 x 1hr20 optional tutorial slot on prerequisites.
Note: this breakdown is indicative, as the course is illustrated by applications and exercises to introduce fundamental concepts. In addition, several concepts are covered in a flipped classroom.

Contents:
Examples in atmospheric chemistry, combustion chemistry, synthesis, electrochemistry, process engineering... .

Define and measure reaction rate:

1.1 Description of the evolution of a reaction medium
1.2 Definition of reaction rate based on material balance in ideal reactors (open/closed/perfectly stirred/piston flow, etc.)
1.3 Main experimental methods for kinetic measurements
1.4 Notions of reaction order, rate constant, Ostwald isolation method, etc.

Identify and interpret the influence of experimental parameters:

2.1 Thermal activation (reminder: Arrhenius equation) introduction to transition state theory (Cf. Thermo. Stat. 1st year course: module 1AS2ThSta) relaxation methods
2.2 Pressure effect ("fall-off")
2.3 Photochemistry: kinetic equation of absorption, emission and non-radiative transfer phenomena quantum yield photodissociation.
2.4 Reactions on surfaces: kinetic concepts.

Developing reaction mechanisms

3.1 Elementary reactions and complex reactions = set of elementary reactions
3.2 Rate law derived from a mechanism
3.3 Quasi-stationary state approximation
3.4 Step reactions and chain reactions
3.5 Homogeneous catalysis (e.g. Michaelis and Menten)

Physical and Analytical Chemistry

P.W. Atkins, "Physical Chemistry" (Oxford University Press, 1990)
Laffitte and F. Rouquérol, "La réaction chimique", Tome 2. Aspects thermodynamiques (suite) et cinétiques (Masson, Paris, 1991)
Scacchi, M. Bouchy, J.F. Foucault and O. Zahraa, "Cinétique et Catalyse" (TecetDoc, collection Info Chimie, Lavoisier, Paris 1996)
Schuffenecker, G. Scacchi, B. Proust, J.F. Foucault, L. Martel and M. Bouchy, "Thermodynamique et Cinétique Chimiques" (TecetDoc, Info Chimie collection, Lavoisier, Paris 1991)
J. Villermaux, "Génie de la réaction chimique" (TecetDoc, Lavoisier, Paris 1993)