Hansen Solubility Parameters: A User's Handbook
Hansen solubility parameters (HSPs) are used to predict molecular affinities, solubility, and solubility-related phenomena. Revised and updated throughout, Hansen Solubility Parameters: A User's Handbook, Second Edition features the three Hansen solubility parameters for over 1200 chemicals and correlations for over 400 materials including polymers, inorganic salts, and biological materials.\ To update his groundbreaking handbook with the latest advances and perspectives, Charles M. Hansen...
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Hansen solubility parameters (HSPs) are used to predict molecular affinities, solubility, and solubility-related phenomena. Revised and updated throughout, Hansen Solubility Parameters: A User's Handbook, Second Edition features the three Hansen solubility parameters for over 1200 chemicals and correlations for over 400 materials including polymers, inorganic salts, and biological materials. To update his groundbreaking handbook with the latest advances and perspectives, Charles M. Hansen has invited five renowned experts to share their work, theories, and practical applications involving HSPs. New discussions include a new statistical thermodynamics approach for confirming existing HSPs and how they fit into other thermodynamic theories for polymer solutions. Entirely new chapters examine the prediction of environmental stress cracking as well as absorption and diffusion in polymers. Highlighting recent findings on interactions with DNA, the treatment of biological materials also includes skin tissue, proteins, natural fibers, and cholesterol. The book also covers the latest applications of HSPs, such as ozone-safe “designer” solvents, protective clothing, drug delivery systems, and petroleum applications. Presenting a comprehensive survey of the theoretical and practical aspects of HSPs, Hansen Solubility Parameters, Second Edition concludes with a detailed discussion on the necessary research, future directions, and potential applications for which HSPs can provide a useful means of prediction in areas such as biological materials, controlled release applications, nanotechnology, and self-assembly.
Solubility Parameters - An Introduction 1Abstract 1Introduction 1Hildebrand Parameters and Basic Polymer Solution Thermodynamics 2Hansen Solubility Parameters 4Methods and Problems in the Determination of Partial Solubility Parameters 6Calculation of the Dispersion Solubility Parameter [delta subscript D] 13Calculation of the Polar Solubility Parameter [delta subscript P] 16Calculation of the Hydrogen Bonding Solubility Parameter [delta subscript H] 17Supplementary Calculations and Procedures 17Temperature Dependence 18Some Special Effects Temperature Changes 19Effects of Solvent Molecular Size 19Computer Programs 20Hansen Solubility Parameters for Water 21Conclusion 22References 24Theory - The Prigogine Corresponding States Theory, [chi subscript 12] Interaction Parameter, and Hansen Solubility Parameters 27Abstract 27Introduction 27Hansen Solubility Parameters (HSP) 28Resemblance between Predictions of Hansen Solubility Parameters and Corresponding States Theories 30The[chi subscript 12] Parameter and Hansen Solubility Parameters 32Comparison of Calculated and Experimental [chi subscript 12] Parameters 34Polybutadiene 35Polyisobutylene 36Polystyrene 38Polyvinylacetate 39Polyaciylonitrile 39General Discussion 39Postscript 40Conclusion 41References 42Statistical Thermodynamic Calculations of the Hydrogen Bonding, Dipolar, and Dispersion Solubility Parameters 45Key words 45Abstract 45Introduction 45Theory 46The Equation-of-State Framework 46The Contribution from Dipolar Forces 50Applications 52Discussion and Conclusions 59Acknowledgments 62List of Symbols Special to this Chapter 63References 64The Acid Dimerization 65An Alternative Form of the Polar Term 66A Group-Contribution Method for the Prediction of [delta] and [delta subscript D] 66The Hansen Solubility Parameters (HSP) in Thermodynamic Models for Polymer Solutions 75Abstract 75Group Contribution Methods for Estimating Properties of Polymers 76The Group-Contribution Principle and Some Applications (Density, Solubility Parameters) 76GC Free-Volume-Based Models for Polymers (Entropic-FV, Unifac-FV) 77The Free-Volume Concept 77The UNIFAC-FV Model 77The Entropic Model 78The Flory-Huggins Model and the Regular Solution Theory 80Rules of Thumb and Solvent Selection Using the Flory-Huggins Model and Solubility Parameters 81Activity Coefficients Models Using the HSP 82Flory-Huggins Models Using Hildebrand and Hansen Solubility Parameters (HSP) 82The FH/Hansen Model vs. the GC Methods 84Applications 85Solvent Selection for Paints (Activity Coefficients at Infinite Dilution) 85Mixed Solvent-Polymer Phase Equilibria 88Conclusions and Future Challenges 90List of Abbreviations 91Symbols in this Chapter 92An Expression of the Flory-Huggins Model for Multicomponent Mixtures 92References 93Methods of Characterization - Polymers 95Abstract 95Introduction 95Calculation of Polymer HSP 97Solubility - Examples 98Swelling - Examples 106Melting Point Determinations - Effect of Temperature 106Environmental Stress Cracking 107Intrinsic Viscosity Measurements 107Other Measurement Techniques 109Conclusion 109References 110Methods of Characterization - Surfaces 113Abstract 113Introduction 113Hansen Solubility Parameter Correlations with Surface Tension (Surface Free Energy) 113Method to Evaluate the Cohesion Energy Parameters for Surfaces 114A Critical View of the Critical Surface Tensions 116A Critical View of the Wetting Tension 117Additional Hansen Solubility Parameter Surface Characterizations and Comparisons 118Self-Stratifying Coatings 120Maximizing Physical Adhesion 122Conclusion 122References 122Methods of Characterization for Pigments, Fillers, and Fibers 125Abstract 125Introduction 125Methods to Characterize Pigment, Filler, and Fiber Surfaces 126Discussion - Pigments, Fillers, and Fibers 127Hansen Solubility Parameter Correlation of Zeta Potential for Blanc Fixe 131Carbon Fiber Surface Characterization 131Controlled Adsorption (Self-Assembly) 132Conclusion 134References 134Applications - Coatings and Other Filled Polymer Systems 137Abstract 137Introduction 137Solvents 137Techniques for Data Treatment 142Solvents and Surface Phenomena in Coatings (Self-Assembly) 144Polymer Compatibility 145Hansen Solubility Parameter Principles Applied to Understanding Other Filled Polymer Systems 147Conclusion 147References 148Hansen Solubility Parameters of Asphalt, Bitumen, and Crude Oils 151Abstract 151Symbols Special to Chapter 9 151Introduction 151Models of Bitumen 152Asphaltenes 154Molecular Weight 154Polarity 155Solubility Parameters of Bitumen 155Testing of Bitumen Solubility 156Hildebrand Solubility Parameters 156Hansen Solubility Parameters (HSP) 158The Solubility Sphere 159Computer Program for Calculation and Plotting of the Hansen 3D Pseudosphere 161Components of Bitumen 164Bitumen and Polymers 166Crude Oil 169Turbidimetric Titrations 170BISOM Test 170Conclusion 173References 174Determination of Hansen Solubility Parameter Values for Carbon Dioxide 177Abstract 177Introduction 177Methodology 178One-Component Hildebrand Parameter as a Function of Temperature and Pressure 187Three-Component (Hansen) Solubility Parameters - Pure CO[subscript 2] 189Temperature and Pressure Effects on HSPs: [delta subscript d] 190Temperature and Pressure Effects on HSPs: [delta subscript p] 191Temperature and Pressure Effects on HSPs: [delta subscript h] 191Conclusion 196Acknowledgments 196Addendum 196Symbols Special to this Chapter 197References 197Ideal Solubility of Gases in Liquids and Published CO[subscript 2] Solubility Data 199Ideal Solubility of Gases in Liquids 199References 201Use of Hansen Solubility Parameters to Identify Cleaning Applications for "Designer" Solvents 203Abstract 203Introduction 203A Variety of Solvents 204Pathology of Soils 204HSP of Multiple-Component Soils 204Method for Calculating HSP of Composites (Soils or Solvents) 205More Realistic View about Evaluating HSP of Composite Soils 206Method for Choice of Suitable Solvents 206Reference Soils for Comparison 208Identification of Designer Solvents 208An Open Question - Answered 208Limiting R[subscript A] Value for Expected Good Cleaning Performance 210Application of HSP Methodology to Cleaning Operations 212Analysis of Capability of Designer Solvents 213Conclusions 215Notes 227Applications - Chemical Resistance 231Abstract 231Introduction 231Chemical Resistance - Acceptable-or-Not Data 232Effects of Solvent Molecular Size 232Chemical Resistance - Examples 233Tank Coatings 233PET Film Coating 234Acceptable or Not - Plastics 234Tensile Strength 237Special Effects with Water 238Conclusion 239References 240Applications - Barrier Polymers 243Abstract 243Introduction 243Concentration-Dependent Diffusion 244Solubility Parameter Correlations Based on Permeation Phenomena 245Solubility Parameter Correlations of Breakthrough Times 245Solubility Parameter Correlation of Permeation Rates 248Solubility Parameter Correlation of Polymer Swelling 250Solubility Parameter Correlation of Permeation Coefficients for Gases 251Laminates 253General Considerations 255Conclusion 256References 257Applications - Environmental Stress Cracking in Polymers 259Abstract 259Introduction 259ESC Interpreted Using HSP 260ESC with Nonabsorbing Stress Cracking Initiators 263Discussion 264Conclusion 267References 267Hansen Solubility Parameters - Biological Materials 269Abstract 269Introduction 270Hydrophobic Bonding and Hydrophilic Bonding (Self-Association) 271DNA 273Cholesterol 275Lard 277Human Skin 277Proteins - Blood Serum and Zein 279Chlorophyll and Lignin 279Wood Chemicals and Polymers 279Urea 283Water 289Surface Mobility 290Chiral Rotation, Hydrogen Bonding, and Nanoengineering 290Conclusion 291References 291Absorption and Diffusion in Polymers 293Abstract 293List of Symbols Used in This Chapter 293Introduction 294Steady State Permeation 296The Diffusion Equation 296Constant Diffusion Coefficients 296Concentration Dependent Diffusion Coefficients 297Surface Resistance 298Mathematical Background 298Surface Resistance in Absorption Experiments 300Surface Resistance in Permeation Experiments 301Surface Resistance - A Discussion 302Side Effects 304Measuring Diffusion Coefficients with Surface Resistance and Concentration Dependence 304Film Formation by Solvent Evaporation 305Anomalous Diffusion (Case II, Super Case II) 306General Comments 308Conclusion 308References 309Applications - Safety and Environment 311Abstract 311Introduction 311Substitution 311Alternative Systems 312Solvent Formulation and Personal Protection for Least Risk 313The Danish Mal System - The Fan 313Selection of Chemical Protective Clothing 315Uptake of Contents by a Plastic Container 315Skin Penetration 316Transport Phenomena 316Conclusion 317References 318The Future 321Abstract 321Introduction 321Hansen Solubility Parameter Data and Data Quality 324Group Contribution Methods 328Polymers as Points - Solvents as Spheres 328Characterizing Surfaces 330Materials and Processes Suggested for Further Attention 332Surface Active Agents 332Surface Mobility (Self-Assembly) 333Water 334Gases 336Organic Salts 337Inorganic Saks 337Organometallic Compounds 338Aromas and Fragrances 338Absorption of Chemicals in Plastics 339Chemical Resistance 339Controlled Release 339Nanotechnology 340Theoretical Problems Awaiting Future Resolution 341Polymer Solubility 341Surface Phenomena 342Conclusion 342References 342Comments to Table A.1 345References 346Table A.1 347Comments to Table A.2 485References 490List of Trade Names and Suppliers 491493Comments to Table A.3 507508Index 511
