Kinetics and Catalysis

Kinetics and Catalysis
Theories and principles of chemical kinetics, including heterogeneous catalysis and reactor design.
 Hours3.0 Credit, 3.0 Lecture, 0.0 Lab
 PrerequisitesCH EN 386
Course Outcomes

Definitions, Rate Functions and Stoichiometry

Define reaction rate; use extent of reaction for defining species concentrations.(a) General properties of rate function & five empirical rules; and (b) purposes of studying kinetics.

Theory of Chemical Kinetics

(a) Define elementary step and its rate. (b) Estimate pre-exponential factors from transition-state theory for homogeneous reactions.(a) collision and transition-state theories; and (b) BEBO theory; properties and calculations of partition functions. Estimate pre-exponential factors from TST for surface-phase species.

Kinetic Tools

Derive a rate expression from a sequence of elementary steps for a homogeneous chain reaction or a heterogeneous catalytic reaction.(a) Applicability and limitations of kinetic tools, including SSA, LCA, RDS, and MASI; open/closed sequences.

Adsorption/Surface Properties

(a) Derive Langmuir adsorption isotherms; (b) calculate BET surface area from N2 adsorption in a solid; (c) calculate dispersion of supported metal catalysts from uptake data.(a) Molecular processes involved in adsorption/desorption of molecules on a solid surface; (b) information available from a full-range isotherm.

Kinetics of Surface Reactions

(a) Derive rate expressions for Langmuir-Hinshelwood, Eley-Rideal, and two-site mechanisms of surface reactions; (b) fit rate data to a LH rate expression to determine values of the kinetic constants and specify acceptable statistical measures of the goodness of fit.(a) Principles and guidelines for experimental design and collecting rate data; (b) methods for fitting rate data to empirical and theoretically based rate models; (c) the microkinetics approach to modeling reaction kinetics.

Heat & Mass Transfer in Solid Catalysts

Calculate concentration and temperature gradients in film and pellet, % resistances for heat/mass transport and reaction, combined and effective diffusivities, and isothermal/-nonisothermal effectiveness factors.(a) Mechanisms of and fundamental equations for heat/mass transport processes during reaction in a solid, porous catalyst; (b) criteria for heat/mass transfer and pore-diffusional disguises.

Reactor Design Essentials

Set-up and solve energy, mass, and momentum balances for a 1D adiabatic or heat-exchange packed-bed reactor, incorporating film mass transfer and pore diffusional resistances and effects of gaseous expansion, to obtain catalyst requirements, axial temperature profile, and pressure drop.3D, unsteady-state equations for conservation of mass, energy, and momentum and simplification to 1D, steady-state reaction.