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Physical Chemistry Kinetics

ISBN-10: 0815340893
ISBN-13: 9780815340898
Edition: 2006
Authors: Horia Metiu
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Description: This is a new undergraduate textbook on physical chemistry by Horia Metiu published as four separate paperback volumes. These four volumes on physical chemistry combine a clear and thorough presentation of the theoretical and mathematical aspects of  More...

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Book details

List price: $64.00
Copyright year: 2006
Publisher: Garland Publishing, Incorporated
Publication date: 2/21/2006
Binding: Paperback
Pages: 138
Size: 7.75" wide x 9.50" long x 0.50" tall
Weight: 1.210
Language: English

This is a new undergraduate textbook on physical chemistry by Horia Metiu published as four separate paperback volumes. These four volumes on physical chemistry combine a clear and thorough presentation of the theoretical and mathematical aspects of the subject with examples and applications drawn from current industrial and academic research. By using the computer to solve problems that include actual experimental data, the author is able to cover the subject matter at a practical level. The books closely integrate the theoretical chemistry being taught with industrial and laboratory practice. This approach enables the student to compare theoretical projections with experimental results, thereby providing a realistic grounding for future practicing chemists and engineers. Each volume of Physical Chemistry includes Mathematica® and Mathcad® Workbooks on CD-ROM. Metiu's four separate volumes-Thermodynamics, Statistical Mechanics, Kinetics, and Quantum Mechanics-offer built-in flexibility byallowing the subject to be covered in any order. These textbooks can be used to teach physical chemistry without a computer, but the experience is enriched substantially for those students who do learn how to read and write Mathematica® or Mathcad® programs. A TI-89 scientific calculator can be used to solve most of the exercises and problems. ® Mathematica is a registered trademark of Wolfram Research, Inc. ® Mathcad is a registered trademark of Mathsoft Engineering & Education, Inc.

Preface
How to use the workbooks, exercises, and problems
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
Concentration
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
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 [eta](t)
The concentrations
Test whether Eq. 2.10 fits the data and determine the constant k(T, [rho])
A crude fitting method
The least-squares method for fitting the data
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 k[subscript 0], 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 k[subscript 0] and E in the Arrhenius formula
The determination of k[subscript 0] and E by least-squares fitting
The activation energy
Determination of the Arrhenius parameters: a more realistic example
Fitting the data to determine k[subscript 0] 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?
Irreversible second-order reactions
Introduction
The rate equation for an irreversible, bimolecular reaction
The rate equation for the reaction A + B to C + D
The rate equation for the reaction 2A to C + D
The rate equation for the reaction A + B to C + D in terms of the extent of reaction
The dependence of [eta](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
Calculating k for each data point
Using a least-squares fitting
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
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 [eta](t)
The solution of the general rate equation for [eta](t)
The solution provided by Mathematica
Solving the differential equation for [eta](t) by using the methods learned in calculus
Calculate [eta](t) for the four types of reaction
The use of these equations
Analysis of the reaction 2HI [right harpoon over left] H[subscript 2] + I[subscript 2]
A summary of the equations needed for analysis
Using the equilibrium information
Fitting the data to find k[subscript b]
How to use the results of this analysis
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 [eta subscript 1] and [eta subscript 2]
Solving the rate equations for [eta subscript 1](t) and [eta subscript 2](t)
First-order irreversible consecutive reactions
The rate equations
Mass conservation
The rate equations for [eta subscript 1] and [eta subscript 2]
Solving the rate equations to obtain [eta subscript 1](t) and [eta subscript 2](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
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
Enzyme kinetics
Introduction
The Michaelis-Menten mechanism: exact numerical solution
The rate equations
The extents of reaction
Mass conservation
The rate equations for [eta subscript 1](t) and [eta subscript 2](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 K[subscript m] and k[subscript 2]E(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

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