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.
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.
(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.