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Molecular driving forces : statistical thermodynamics in chemistry and biology / Ken A. Dill, Sarina Bromberg.
Chemistry Library - Books QC311.5 .D55 2003
Available
Chemistry Library - Books QC311.5 .D55 2003
Available
LIBRA QC311.5 .D55 2003
Available from offsite location
- Format:
- Book
- Author/Creator:
- Dill, Ken A.
- Language:
- English
- Subjects (All):
- Statistical thermodynamics.
- Physical Description:
- xx, 666 pages : illustrations ; 28 cm
- Place of Publication:
- New York : Garland Science, 2003.
- Contents:
- 1 Principles of Probability 1
- Principles of Probability Are the Foundations of Entropy 1
- What Is Probability? 2
- Rules of Probability 3
- Correlated Events/Conditional Probabilities 7
- Combinatorics 9
- Distribution Functions 13
- Averages, Standard Deviations 17
- 2 Extremum Principles Predict Equilibria 27
- What Are Extremum Principles? 27
- What Is a State of Equilibrium? 28
- Maximizing Multiplicity 30
- Simple Models 31
- 3 Heat, Work & Energy 37
- Heat Flows to Maximize Entropy 37
- Conservation Laws 37
- Heat Was Thought to Be a Fluid 40
- Atoms and Molecules Have Energies 42
- Why Does Heat Flow? 44
- 4 Math Tools: Series and Approximations 49
- Physical Modelling Involves Series Expansions 49
- Making Approximations Involves Truncating Series' 53
- Gaussian Distribution/Random Walk 57
- 5 Multivariate Calculus 61
- Functions of Multiple Variables 61
- Partial Derivatives 62
- Extrema of Multivariate Functions 65
- Integrating Multivariate Functions 73
- The Chain Rule 77
- Rearranging Dependent and Independent Variables 78
- 6 Entropy & the Boltzmann Distribution Law 81
- What Is Entropy? 81
- Flat Distributions if there Are No Constraints 85
- Exponential Distributions if there Are Constraints 86
- Principle of Fair Apportionment 89
- Philosophical Foundations 99
- 7 Thermodynamic Driving Forces 105
- Thermodynamics Is Two Laws 105
- The Fundamental Thermodynamic Equations 107
- Defining the Thermodynamic Driving Forces 108
- Homogeneous Functions 111
- Thermal, Mechanical, and Chemical Equilibria 111
- Thermodynamic Logic 119
- The First Law Interrelates Heat, Work, and Energy 122
- Why Is There an Absolute Temperature Scale? 126
- Other Statements of the Second Law 127
- 8 Free Energies 131
- Switching from Entropy to Free Energy 131
- Free Energy Defines Another Extremum Principle 132
- Using the Heat Capacity 142
- Using Thermodynamic Cycles 146
- 9 Maxwell's Relations & Mixtures 153
- Predicting Unmeasurable Quantities 153
- Maxwells Relations Interrelate Partial Derivatives 155
- Multicomponent Systems/Partial Molar quantities 163
- Linkage Relations 166
- 10 Boltzmann Distribution Law 171
- Probability Distributions for Atoms and Molecules 171
- The Boltzmann Law Describes Equilibria 173
- What Does a Partition Function Tell You? 177
- Thermodynamic Properties from Partition Functions 183
- What Is an Ensemble? 188
- 11 Statistical Mechanics of Simple Gases and Solids 193
- Macroscopic Properties from Atomic Structures 193
- Translational Motion 195
- Harmonic Oscillator Model 201
- Rigid Rotor Model 203
- Ideal Gas Properties 206
- The Equipartition Theorem 212
- 12 Temperature, Heat Capacity 221
- A Microscopic Perspective 221
- A Graphical Procedure, from S to C[subscript v] 225
- What Drives Heat Exchange? 227
- The Heat Capacity Reflects Energy Fluctuations 228
- 13 Chemical Equilibria 235
- Chemical Equilibria from Atomic Structures 235
- Le Chatelier's Principle 243
- Temperature Dependence of Equilibrium 244
- 14 Equilibria Between Liquids, Solids, and Gases 251
- Phase Equilibria 251
- The Clapeyron Equation 256
- How Do Refrigerators and Heat Pumps Work? 259
- Surface Tension 262
- 15 Solutions and Mixtures 267
- A Lattice Model Describes Mixtures 267
- Interfacial Tension 273
- What Have We Left Out? 275
- 16 Solvation and Transfers of Molecules Between Phases 279
- The Chemical Potential 279
- Solvation 280
- Activity and Activity Coefficient 282
- Boiling Point Elevation 285
- Freezing Point Depression 288
- Osmotic Pressure 289
- Solutes Can Transfer and Partition 291
- Dimerization in Solution 294
- 17 Vector Calculus 301
- Vectors Describe Forces and Flows 301
- Vectors Add and Subtract by Components 301
- The Dot Product 302
- Scalar and Vector Fields 303
- The Flux of a Vector Field 308
- Gauss's Theorem 310
- 18 Physical Kinetics 315
- Forces Drive Molecules to Flow 315
- Linear Laws Relate Forces to Flows 316
- The Diffusion Equation 318
- Sources and Sinks: Examples from Population Biology 324
- Additional Forces 326
- The Einstein-Smoluchowski Equation 327
- Brownian Ratchets 330
- The Fluctuation-Dissipation Theorem 333
- Onsager Reciprocal Relations Describe Coupled Flows 335
- 19 Chemical Kinetics & Transition States 341
- Rates Depend on Temperature 341
- Rates Are Proportional to Concentrations 341
- At Equilibrium, Rates Obey Detailed Balance 342
- Mass Action Laws Describe Mechanisms 344
- Reaction Rates Depend on Temperature 345
- Activated Processes and Transition State Theory 348
- Catalysts Speed Up Chemical Reactions 356
- The Bronsted Law 359
- Funnel Landscapes and Diffusional Processes 363
- 20 Coulomb's Law 369
- Charges and Coulomb's Law 369
- Charge Interactions are Long-Ranged 370
- Charge Interactions Are Weaker in Media: Dielectric Constants 373
- Electrostatic Forces Add Like Vectors 375
- What Is an Electrostatic Field? 376
- Electric Fields Have Fluxes 378
- 21 The Electrostatic Potential 387
- Electrostatic Potentials with Electrostatic Fields 387
- Dipoles Are Separated Charges 392
- The Poisson Equation 395
- Method of Image Charges 399
- 22 Electrochemical Equilibria 409
- Electrochemical Potentials in Ionic Solutions 409
- The Nernst Equation 410
- Voltage-Gated Ion Channels 417
- Acid-Base Equilibria Are Shifted by Electrostatic Fields 418
- Electrostatic Gradients Cause Ion Flows 420
- Creating Charge Distribution Costs Free Energy 423
- 23 Salt Ions Shield Charged Objects 433
- Salts Dissociate and Shield Other Charges 433
- Strong and Weak Electrolytes 440
- 24 Intermolecular Interactions 449
- Short-ranged Repulsions and Long-ranged Attractions 449
- Short-ranged Attractions Are Electrostatic 450
- The van der Waals Gas Model 457
- The Lattice Model Contact Energy 462
- 25 Phase Transitions 467
- Two States Can Be StabIe at the Same Time 467
- Liquids or Solids Mix at High Temperatures 468
- Phase Separations Are Driven to Lower the Free Energy 471
- The Spinodal Curve 477
- The Critical Point 478
- The Principles of Boiling 479
- Boiling a Liquid Mixture Involves Two Transitions 485
- 26 Cooperativity 493
- Abrupt Transitions Occur in Many Different Systems 493
- Transitions and Critical Points Are Universal 493
- The Landau Model 496
- Helix-Coil Transitions 499
- The Ising Model Describes Magnetization 508
- The Kinetics of Phase Transitions and Nucleation 509
- 27 Adsorption, Binding & Catalysis 515
- Binding and Adsorption Processes Are Saturable 515
- The Langmuir Model 515
- Binding and Saturation in Solution 519
- The Principle of Adsorption Chromatography 521
- Michaelis-Menten Model 522
- Sabatier's Principle for Stabilizing Transition States 527
- 28 Multi-site Cooperative Ligand Binding 533
- Binding Polynomials 534
- The Two-site Model of Binding Cooperativity 536
- Binding Intermediate States 539
- Constructing Binding Polynomials from Rules of Probability 541
- Oxygen Binding to Hemoglobin 546
- Inhibitors 550
- Model of McGhee and von Hippel 552
- Rates Can Often Be Treated by Using Binding Polynomials 556
- Grand Canonical Ensemble 556
- 29 Water 563
- Water Is an Unusual Liquid 563
- Water Has Hydrogen Bonded Structure 563
- Pure Water Has Anomalous Properties 568
- 30 Water as a Solvent 577
- Oil and Water Don't Mix: The Hydrophobic Effect 577
- Signature of Hydrophobicity: Its Temperature Dependence 578
- Water Is Structured Near Cavities and Planar Surfaces 582
- Alcohols Constrict the Volumes of Aqueous Mixtures 585
- Ions Can Make or Break Water Structure 586
- Ion Pairing Preferences 588
- 31 Polymer Solutions 593
- Polymers Are Governed by Statistics 593
- Polymers Have Distributions of Conformations 593
- Polymer Solutions Differ from Small Molecule Solutions 594
- The Flory-Huggins Model 596
- Nonideal Colligative Properties 601
- The Phase Behavior of Polymers 601
- Dilution Entropy Drives Solute
- Partitioning into Polymers 605
- The Flory Theorem 606
- 32 Polymer Elasticity 609
- Polymeric Materials Are Elastic 609
- Random-flight Chains Are Gaussian 613
- Polymer Elasticity Follows Hooke's Law 614
- Elasticity of Rubbery Materials 619
- Polymer Collapse and Expansion 621
- 33 Polymers Resist Confinement & Deformation 629
- Excluded Volume 629
- Chain Conformations Are Perturbed Near Surfaces 631
- Polymer Conformations by a Diffusion Equation Method 634
- Polymers Tend to Avoid Confined Spaces 636
- The Rouse-Zimm Model of Polymer Dynamics 638
- The Reptation Model 640
- Appendix C Useful Taylor Series Expansions 647
- Appendix D Useful Integrals 648
- Appendix E Multiples of Units, Their Names, and Symbols 649.
- Notes:
- Includes bibliographical references and index.
- Local Notes:
- Acquired for the Penn Libraries with assistance from the Alumni and Friends Memorial Book Fund.
- ISBN:
- 0815320515
- OCLC:
- 47915710
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