Surface Chemistry

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Chemical Kinetics and Molecular Reaction Dynamics

Instructor: Dr. Madhav Ranganathan, IIT Kanpur

Kinetics is considered as one of the main branches of Physical Chemistry, in addition to Quantum Mechanics, Thermodynamics and Statistical Mechanics. In this course, we will examine all types of kinetic processes relevant in Chemistry. To do so, we will start with a description of out of equilibrium transport phenomena. This will lead to physical kinetics needed to describe fluid flow, diffusion, thermal conductivity and electrical conductivity. In all the above studies, we will present two perspectives; the phenomenological perspective and the molecular perspective. The next part of the course will deal with phenomelogical Chemical kinetics in the form of rate laws and rate equations. Simple and complex reactions will be considered and the process of going from a reaction mechanism to a reaction rate law will be described. The molecular perspective of chemical reactions will follow in the form of collision theory, activation and transition state theory. Molecular Reaction dynamics experiments will be described as a tool to study reactions. Corresponding to these experiments, we will look at the dynamical perspective on chemical reactions using potential energy surfaces. We will conclude this course with three special topics in chemical kinetics. The first topic involves multiple transport processes and we will consider a reaction-diffusion system as an example. The second topic is Chemical Reactions on Surfaces and this consists of describing reactions with a solid surface and reactions involving a catalytic surface. The last topic is Chemical Kinetics in biological systems and we will consider enzyme kinetics in this topic.

Course and lecture details (Total Lectures: 40)

1. Equilibrium: Description of the equilibrium state, constant properties and fluctuations. Near Equilibrium hypothesis, fluctuations, linear response theory and approach to equilibrium. (3 lectures)

2. Physical Kinetics: Transport phenomena and transport equations, fluid flow, diffusion, thermal conductivity, electrical conductivity, ionic conductivity in solutions.(6 lectures)

3. Phenomelogical Chemical Reaction Kinetics: Transport phenomena in reactive systems, kinetic equations. Phenomelogical rate laws for simple and complex reactions, reaction mechanisms and rate laws, experimental techniques for reaction rates. (7 lectures)

4. Molecular Perspective of Chemical reactions: Collision theory, Arrhenius relation, statistical mechanics of reaction rate theory, transition state theory. (6 lectures)

5. Molecular Reaction Dynamics: Quantum and Classical reaction dynamics, potential energy surfaces, scattering theory, molecular beam experiments, spectroscopic analysis of reactions, inter and intra-molecular energy flow, statistical mechanical description of reaction processes. (8 lectures)

6. Special Topics in Chemical Kinetics 1: Reaction Diffusion system Diffusion controlled reactions, simultaneous reaction and diffusion leading to instabilities and patterns. (3 lectures)

7. Special Topics in Chemical Kinetics 2: Surface Reactions Surface reactions, surface mediated reactions, adsorption, Langmuir adsorption kinetics, surface reactions, heterogenous catalysis, multiphase reactions. (4 lectures)

8. Special Topics in Chemical Kinetics 3: Enzyme Kinetics Enzymatic reactions, Enzyme-substrate complexes, Michaelis-Menten equation, role of diffusion in biological reactions. (3 lectures)

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