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9780815320517

Molecular Driving Forces: Statistical Thermodynamics in Chemistry, Physics, Biology, and Nanoscience

by ;
  • ISBN13:

    9780815320517

  • ISBN10:

    0815320515

  • Format: Paperback
  • Copyright: 2002-09-13
  • Publisher: Routledge
  • Purchase Benefits
List Price: $126.00

Summary

This text shows how many complex behaviors of molecules can result from a few simple physical processes. A central theme is the idea that simplistic models can give surprisingly accurate insights into the workings of the molecular world. Written in a clear and student-friendly style, the book gives an excellent introduction to the field for novices. It should also be useful to those who want to refresh their understanding of this important field, and those interested in seeing how physical principles can be applied to the study of problems in the chemical, biological, and material sciences. Furthermore,Molecular Driving Forcescontains a number of features including: *449 carefully produced figures illustrating the subject matter *178 worked examples in the chapters which explain the key concepts and show their practical applications *The text is mathematically self-contained, with 'mathematical toolkits' providing the required maths *Advanced material that might not be suitable for someelementary courses is clearly delineated in the text *End-of-chapter references and suggestions for further reading

Author Biography

Ken A. Dill is Professor of Pharmaceutical Chemistry and Biophysics at the University of California, San Francisco.

Table of Contents

Preface xvii
Acknowledgements xx
Principles of Probability
1(26)
Principles of Probability Are the Foundations of Entropy
1(1)
What is Probability?
2(1)
Rules of Probability
3(4)
Correlated Events/Conditional Probabilities
7(2)
Combinatorics
9(4)
Distribution Functions
13(4)
Averages, Standard Deviations
17(4)
Summary
21(3)
Problems
24(2)
Suggested Reading
26(1)
Extremum Principles Predict Equilibria
27(10)
What Are Extremum Principles?
27(1)
What Is a State of Equilibrium?
28(2)
Maximizing Multiplicity
30(1)
Simple Models
31(4)
Summary
35(1)
Problems
36(1)
Suggested Reading
36(1)
Heat, Work & Energy
37(12)
Heat Flows to Maximize Entropy
37(1)
Conservation Laws
37(3)
Heat Was Thought to Be a Fluid
40(2)
Atoms and Molecules Have Energies
42(2)
Why Does Heat Flow?
44(2)
Summary
46(2)
Problems
48(1)
Suggested Reading
48(1)
Math Tools: Series and Approximation
49(12)
Physical Modelling Involves Series Expansions
49(4)
Making Approximations Involves Truncating Series'
53(4)
Gaussian Distribution/Random Walk
57(2)
Summary
59(1)
Problems
60(1)
Suggested Reading
60(1)
Multivariate Calculus
61(20)
Functions of Multiple Variables
61(1)
Partial Derivatives
62(3)
Extrema of Multivariate Functions
65(8)
Integrating Multivariate Functions
73(4)
The Chain Rule
77(1)
Rearranging Dependent and Independent Variables
78(1)
Summary
79(1)
Problems
80(1)
Suggested Reading
80(1)
Entropy & the Boltzmann Distribution Law
81(24)
What Is Entropy?
81(4)
Flat Distributions if there Are No Constraints
85(1)
Exponential Distributions if there Are Constraints
86(3)
Principle of Fair Apportionment
89(10)
Philosophical Foundations
99(2)
Summary
101(1)
Problems
102(1)
Suggested Reading
103(2)
Thermodynamic Driving Forces
105(26)
Thermodynamics Is Two Laws
105(2)
The Fundamental Thermodynamic Equations
107(1)
Defining the Thermodynamic Driving Forces
108(3)
Homogeneous Functions
111(1)
Thermal, Mechanical, and Chemical Equilibria
111(8)
Thermodynamic Logic
119(3)
The First Law Interrelates Heat, Work, and Energy
122(4)
Why Is There an Absolute Temperature Scale?
126(1)
Other Statements of the Second Law
127(1)
Summary
127(1)
Problems
128(1)
Suggested Reading
128(3)
Free Energies
131(22)
Switching from Entropy to Free Energy
131(1)
Free Energy Defines Another Extremum Principle
132(10)
Using the Heat Capacity
142(4)
Using Thermodynamic Cycles
146(4)
Summary
150(1)
Problems
151(1)
Suggested Reading
152(1)
Maxwell's Relations & Mixtures
153(18)
Predicting Unmeasurable Quantities
153(2)
Maxwells Relations Interrelate Partial Derivatives
155(8)
Multicomponent Systems/Partial Molar Quantities
163(3)
Linkage Relations
166(2)
Summary
168(1)
Problems
169(1)
Suggested Reading
169(2)
Boltzmann Distribution Law
171(22)
Probability Distributions for Atoms and Molecules
171(2)
The Boltzmann Law Describes Equilibria
173(4)
What Does a Partition Function Tell You?
177(6)
Thermodynamic Properties from Partition Functions
183(5)
What Is an Ensemble?
188(1)
Summary
189(1)
Problems
190(1)
Suggested Reading
191(2)
Statistical Mechanics of Simple Gases and Solids
193(28)
Macroscopic Properties from Atomic Structures
193(2)
Translational Motion
195(6)
Harmonic Oscillator Model
201(2)
Rigid Rotor Model
203(3)
Ideal Gas Properties
206(6)
The Equipartition Theorem
212(4)
Summary
216(1)
Problems
217(2)
Suggested Reading
219(2)
Temperature, Heat Capacity
221(14)
A Microscopic Perspective
221(4)
A Graphical Procedure, from S to Cv
225(2)
What Drives Heat Exchange?
227(1)
The Heat Capacity Reflects Energy Fluctuations
228(4)
Summary
232(1)
Problems
233(1)
Suggested Reading
234(1)
Chemical Equilibria
235(16)
Chemical Equilibria from Atomic Structures
235(8)
Le Chatelier's Principle
243(1)
Temperature Dependence of Equilibrium
244(4)
Summary
248(1)
Problems
249(1)
Suggested Reading
249(2)
Equilibria Between Liquids, Solids, and Gases
251(16)
Phase Equilibria
251(5)
The Clapeyron Equation
256(3)
How Do Refrigerators and Heat Pumps Work?
259(3)
Surface Tension
262(2)
Summary
264(1)
Problems
265(1)
Suggested Reading
265(2)
Solutions and Mixtures
267(12)
A Lattice Model Describes Mixtures
267(6)
Interfacial Tension
273(2)
What Have We Left Out?
275(1)
Summary
276(1)
Problems
277(1)
Suggested Reading
277(2)
Solvation and Transfers of Molecules Between Phases
279(22)
The Chemical Potential
279(1)
Solvation
280(2)
Activity and Activity Coefficient
282(3)
Boiling Point Elevation
285(3)
Freezing Point Depression
288(1)
Osmotic Pressure
289(2)
Solutes Can Transfer and Partition
291(3)
Dimerization in Solution
294(3)
Summary
297(1)
Problems
298(3)
Vector Calculus
301(14)
Vectors Describe Forces and Flows
301(1)
Vectors Add and Subtract by Components
301(1)
The Dot Product
302(1)
Scalar and Vector Fields
303(5)
The Flux of a Vector Field
308(2)
Gauss's Theorem
310(1)
Summary
311(3)
Problems
314(1)
Physical Kinetics
315(26)
Forces Drive Molecules to Flow
315(1)
Linear Laws Relate Forces to Flows
316(2)
The Diffusion Equation
318(6)
Sources and Sinks: Examples from Population Biology
324(2)
Additional Forces
326(1)
The Einstein-Smoluchowski Equation
327(3)
Brownian Ratchets
330(3)
The Fluctuation-Dissipation Theorem
333(2)
Onsager Reciprocal Relations Describe Coupled Flows
335(2)
Summary
337(1)
Problems
338(1)
Suggested Reading
339(2)
Chemical Kinetics & Transition States
341(28)
Rates Depend on Temperature
341(1)
Rates Are Proportional to Concentrations
341(1)
At Equilibrium, Rates Obey Detailed Balance
342(2)
Mass Action Laws Describe Mechanisms
344(1)
Reaction Rates Depend on Temperature
345(3)
Activated Processes and Transition State Theory
348(8)
Catalysts Speed Up Chemical Reactions
356(3)
The Bronsted Law
359(4)
Funnel Landscapes and Diffusional Processes
363(1)
Summary
364(2)
Problems
366(1)
Suggested Reading
367(2)
Coulomb's Law
369(18)
Charges and Coulomb's Law
369(1)
Charge Interactions are Long-Ranged
370(3)
Charge Interactions Are Weaker in Media: Dielectric Constants
373(2)
Electrostatic Forces Add Like Vectors
375(1)
What Is an Electrostatic Field?
376(2)
Electric Fields Have Fluxes
378(6)
Summary
384(1)
Problems
385(1)
Suggested Reading
385(2)
The Electrostatic Potential
387(22)
Electrostatic Potentials with Electrostatic Fields
387(5)
Dipoles Are Separated Charges
392(3)
The Poisson Equation
395(4)
Method of Image Charges
399(7)
Summary
406(1)
Problems
407(1)
Suggested Reading
407(2)
Electrochemical Equilibria
409(24)
Electrochemical Potentials in Ionic Solutions
409(1)
The Nernst Equation
410(7)
Voltage-Gated Ion Channels
417(1)
Acid-Base Equilibria Are Shifted by Electrostatic Fields
418(2)
Electrostatic Gradients Cause Ion Flows
420(3)
Creating Charge Distribution Costs Free Energy
423(7)
Summary
430(1)
Problems
431(1)
Suggested Reading
432(1)
Salt Ions Shield Charged Objects
433(16)
Salts Dissociate and Shield Other Charges
433(7)
Strong and Weak Electrolytes
440(4)
Summary
444(2)
Problems
446(1)
Suggested Reading
447(2)
Intermolecular Interactions
449(18)
Short-ranged Repulsions and Long-ranged Attractions
449(1)
Short-ranged Attractions Are Electrostatic
450(7)
The van der Waals Gas Model
457(5)
The Lattice Model Contact Energy
462(1)
Summary
463(1)
Problems
464(1)
Suggested Reading
465(2)
Phase Transitions
467(26)
Two States Can Be Stable at the Same Time
467(1)
Liquids or Solids Mix at High Temperatures
468(3)
Phase Separations Are Driven to Lower the Free Energy
471(6)
The Spinodal Curve
477(1)
The Critical Point
478(1)
The Principles of Boiling
479(6)
Boiling a Liquid Mixture Involves Two Transitions
485(2)
Summary
487(1)
Problems
488(3)
Suggested Reading
491(2)
Cooperativity
493(22)
Abrupt Transitions Occur in Many Different Systems
493(1)
Transitions and Critical Points Are Universal
493(3)
The Landau Model
496(3)
Helix-Coil Transitions
499(9)
The Ising Model Describes Magnetization
508(1)
The Kinetics of Phase Transitions and Nucleation
509(2)
Summary
511(1)
Problems
512(3)
Adsorption, Binding & Catalysis
515(18)
Binding and Adsorption Processes Are Saturable
515(1)
The Langmuir Model
515(4)
Binding and Saturation in Solution
519(2)
The Principle of Adsorption Chromatography
521(1)
Michaelis-Menten Model
522(5)
Sabatier's Principle for Stabilizing Transition States
527(2)
Summary
529(1)
Problems
530(1)
Suggested Reading
531(2)
Multi-site Cooperative Ligand Binding
533(30)
Binding Polynomials
534(2)
The Two-site Model of Binding Cooperativity
536(3)
Binding Intermediate States
539(2)
Constructing Binding Polynomials from Rules of Probability
541(5)
Oxygen Binding to Hemoglobin
546(4)
Inhibitors
550(2)
Model of McGhee and von Hippel
552(4)
Rates Can Often Be Treated by Using Binding Polynomials
556(1)
Grand Canonical Ensemble
556(2)
Summary
558(1)
Problems
559(3)
Suggested Reading
562(1)
Water
563(14)
Water Is an Unusual Liquid
563(1)
Water Has Hydrogen Bonded Structure
563(5)
Pure Water Has Anomalous Properties
568(7)
Summary
575(1)
Problems
576(1)
Suggested Reading
576(1)
Water as a Solvent
577(16)
Oil and Water Don't Mix: The Hydrophobic Effect
577(1)
Signature of Hydrophobicity: Its Temperature Dependence
578(4)
Water Is Structured Near Cavities and Planar Surfaces
582(3)
Alcohols Constrict the Volumes of Aqueous Mixtures
585(1)
Ions Can Make or Break Water Structure
586(2)
Ion Pairing Preferences
588(1)
Summary
589(1)
Problems
590(1)
Suggested Reading
591(2)
Polymer Solutions
593(16)
Polymers Are Governed by Statistics
593(1)
Polymers Have Distributions of Conformations
593(1)
Polymer Solutions Differ from Small Molecule Solutions
594(2)
The Flory-Huggins Model
596(5)
Nonideal Colligative Properties
601(1)
The Phase Behavior of Polymers
601(4)
Dilution Entropy Drives Solute Partitioning into Polymers
605(1)
The Flory Theorem
606(1)
Summary
607(1)
Problems
608(1)
Polymer Elasticity
609(20)
Polymeric Materials Are Elastic
609(4)
Random-flight Chains Are Gaussian
613(1)
Polymer Elasticity Follows Hooke's Law
614(5)
Elasticity of Rubbery Materials
619(2)
Polymer Collapse and Expansion
621(5)
Summary
626(1)
Problems
627(1)
Suggested Reading
627(2)
Polymers Resist Confinement & Deformation
629(16)
Excluded Volume
629(2)
Chain Conformations Are Perturbed Near Surfaces
631(3)
Polymer Conformations by a Diffusion Equation Method
634(2)
Polymers Tend to Avoid Confined Spaces
636(2)
The Rouse-Zimm Model of Polymer Dynamics
638(2)
The Reptation Model
640(2)
Summary
642(1)
Problems
643(1)
Suggested Reading
643(2)
Appendix A Table of Constants 645(1)
Appendix B Table of Units 646(1)
Appendix C Useful Taylor Series Expansions 647(1)
Appendix D Useful Integrals 648(1)
Appendix E Multiples of Units, Their Names, and Symbols 649(2)
Index 651

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