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• Cover
• Half Title
• Title Page
• Copyright Page
• Table of Contents
• Preface
• How to use the workbooks, exercises, and problems
• Chapter 1 Generalities about the rates of chemical reactions
• Introduction
• Chemical kinetics: what is it?
• The rate of a chemical reaction
• How to define the rate of a reaction
• The extent of reaction
• The evolution of the extent of reaction
• The reaction rate
• Mass conservation in a chemical reaction
• Example: rate of decomposition of uranyl nitrate
• The general scheme of kinetics
• Let us add some theory: a phenomenological approach
• Testing the equation and determining the rate constant
• Supplement 1.1 Concentration
• Supplement 1.2 A summary of what you need to know about differential equations
• A differential equation has an infinite number of solutions
• The initial condition
• How to solve differential equations: a practical guide
• Systems of differential equations
• Chapter 2 Irreversible first-order reactions
• Introduction
• What is an irreversible first-order reaction?
• Unimolecular irreversible reactions
• The rate equation
• Not all unimolecular reactions have a first-order rate
• Solution of the rate equation
• The extent of reaction
• Solving the rate equation to calculate η(t)
• The concentrations
• Test whether Eq. 2.10 fits the data and determine the constant k(T,p)
• A crude fitting method
• The least-squares method for fitting the data
• Chapter 3 The temperature dependence of the rate constant: the Arrhenius formula
• Introduction
• The Arrhenius formula
• How to determine the parameters in the Arrhenius formula
• How to determine k0, E, and n
• How to determine the constants in the Arrhenius equation: the data
• A graphic method for using the Arrhenius formula
• A crude determination of k0 and E in the Arrhenius formula
• The determination of k0 and E by least-squares fitting
• The activation energy
• Determination of the Arrhenius parameters: a more realistic example
• Fitting the data to determine k0 and E
• How do we use these results?
• The decay rate
• Where do these equations come from?
• Why the rate law is dA/dt = –kA?
• Why the Arrhenius law?
• Chapter 4 Irreversible second-order reactions
• Introduction
• The rate equation for an irreversible, bimolecular reaction
• The rate equation for the reaction A + B → C + D
• The rate equation for the reaction 2A → C + D
• The rate equation for the reaction A + B → C + D in terms of the extent of reaction
• The dependence of η(t) on time
• The evolution of the concentrations
• How to use these kinetic equations in practice
• An example: the problem and the data
• An example: setting up the equations
• An example: numerical analysis of the kinetics
• What controls the decay time
• How to analyze kinetic data for second-order reactions
• An example of analysis
• Method I. Calculating k for each data point
• Method II. Using a least-squares fitting
• Chapter 5 Reversible first-order reactions
• Introduction
• The rate equation and its solution
• The rate equation for concentration
• The evolution of the concentrations
• The change of the extent of reaction and concentration: an example
• Understanding the numerical results in the example
• The connection to thermodynamic equilibrium
• Equilibrium concentration by taking the long time limit in the kinetic theory
• Data analysis: an example
• The conversion of 4-hydroxybutanoic acid to its lactone
• The equations used in analysis
• A method of analysis
• Chapter 6 Reversible second-order reactions
• Introduction
• The rate equations
• The equilibrium conditions
• Mass conservation
• The rate equations in terms of the extent of reaction
• A general equation for the rate of change of η(t)
• The solution of the general rate equation for η(t)
• The solution provided by Mathematica
• Solving the differential equation for η(t) by using the methods learned in calculus
• Calculate η(t) for the four types of reaction
• The use of these equations
• Analysis of the reaction 2HI ⇌ H2 + I2
• A summary of the equations needed for analysis
• Using the equilibrium information
• Fitting the data to find kb
• How to use the results of this analysis
• Chapter 7 Coupled reactions
• Introduction
• First-order irreversible parallel reactions
• The rate equations
• Independent variables: the extents of the reactions
• The change of concentration: mass conservation
• The rate equations in terms of η1 and η2
• Solving the rate equations for η1(t) and η2(t)
• First-order irreversible consecutive reactions
• The rate equations
• Mass conservation
• The rate equations for η1 and η2
• Solving the rate equations to obtain η1(t) and η2(t)
• The evolution of the concentrations
• The analysis of the results
• The steady-state approximation
• Why this is called the steady-state approximation
• Testing how well the approximation works
• Chapter 8 An example of a complex reaction: chain reactions
• Introduction
• The correct rate equation
• The reaction mechanism: chain reactions
• Another chain reaction: nuclear reactors and nuclear bombs
• The rate equations for the reactions involved in the mechanism
• The rate of change of [HBr]
• The rate of change of [Br]
• The net rate of change for HBr
• Using the five rate equations
• The temperature dependence
• Chapter 9 Enzyme kinetics
• Introduction
• The Michaelis-Menten mechanism: exact numerical solution
• The rate equations
• The extents of reaction
• Mass conservation
• The rate equations for η1(t) and η2(t)
• The solution of the rate equations
• The Michaelis–Menten mechanism: the steady-state approximation
• The differential equation for R(t)
• The differential equation for the evolution of P(t)
• Practical use of the steady-state approximation to determine Km and k2E(0)
• The evolution of the concentrations in the steady-state approximation
• The evolution of R(t)
• The evolution of P(t) in the steady-state approximation
• The concentration of the complex and of the enzyme in the steady-state approximation
• The Michaelis-Menten mechanism: how good is the steady-state approximation?
• Further reading
• Index