Hansen Solubility Parameters: A User's Handbook, Second Edition
by Hansen; Charles M.Edition: 2nd
Format: Hardcover
Pub. Date: 2007-06-15
Publisher(s): CRC Press
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Summary
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.
Table of Contents
| Solubility Parameters - An Introduction | p. 1 |
| Abstract | p. 1 |
| Introduction | p. 1 |
| Hildebrand Parameters and Basic Polymer Solution Thermodynamics | p. 2 |
| Hansen Solubility Parameters | p. 4 |
| Methods and Problems in the Determination of Partial Solubility Parameters | p. 6 |
| Calculation of the Dispersion Solubility Parameter [delta subscript D] | p. 13 |
| Calculation of the Polar Solubility Parameter [delta subscript P] | p. 16 |
| Calculation of the Hydrogen Bonding Solubility Parameter [delta subscript H] | p. 17 |
| Supplementary Calculations and Procedures | p. 17 |
| Temperature Dependence | p. 18 |
| Some Special Effects Temperature Changes | p. 19 |
| Effects of Solvent Molecular Size | p. 19 |
| Computer Programs | p. 20 |
| Hansen Solubility Parameters for Water | p. 21 |
| Conclusion | p. 22 |
| References | p. 24 |
| Theory - The Prigogine Corresponding States Theory, [chi subscript 12] Interaction Parameter, and Hansen Solubility Parameters | p. 27 |
| Abstract | p. 27 |
| Introduction | p. 27 |
| Hansen Solubility Parameters (HSP) | p. 28 |
| Resemblance between Predictions of Hansen Solubility Parameters and Corresponding States Theories | p. 30 |
| The [chi subscript 12] Parameter and Hansen Solubility Parameters | p. 32 |
| Comparison of Calculated and Experimental [chi subscript 12] Parameters | p. 34 |
| Polybutadiene | p. 35 |
| Polyisobutylene | p. 36 |
| Polystyrene | p. 38 |
| Polyvinylacetate | p. 39 |
| Polyaciylonitrile | p. 39 |
| General Discussion | p. 39 |
| Postscript | p. 40 |
| Conclusion | p. 41 |
| References | p. 42 |
| Statistical Thermodynamic Calculations of the Hydrogen Bonding, Dipolar, and Dispersion Solubility Parameters | p. 45 |
| Key words | p. 45 |
| Abstract | p. 45 |
| Introduction | p. 45 |
| Theory | p. 46 |
| The Equation-of-State Framework | p. 46 |
| The Contribution from Dipolar Forces | p. 50 |
| Applications | p. 52 |
| Discussion and Conclusions | p. 59 |
| Acknowledgments | p. 62 |
| List of Symbols Special to this Chapter | p. 63 |
| References | p. 64 |
| The Acid Dimerization | p. 65 |
| An Alternative Form of the Polar Term | p. 66 |
| A Group-Contribution Method for the Prediction of [delta] and [delta subscript D] | p. 66 |
| The Hansen Solubility Parameters (HSP) in Thermodynamic Models for Polymer Solutions | p. 75 |
| Abstract | p. 75 |
| Group Contribution Methods for Estimating Properties of Polymers | p. 76 |
| The Group-Contribution Principle and Some Applications (Density, Solubility Parameters) | p. 76 |
| GC Free-Volume-Based Models for Polymers (Entropic-FV, Unifac-FV) | p. 77 |
| The Free-Volume Concept | p. 77 |
| The UNIFAC-FV Model | p. 77 |
| The Entropic Model | p. 78 |
| The Flory-Huggins Model and the Regular Solution Theory | p. 80 |
| Rules of Thumb and Solvent Selection Using the Flory-Huggins Model and Solubility Parameters | p. 81 |
| Activity Coefficients Models Using the HSP | p. 82 |
| Flory-Huggins Models Using Hildebrand and Hansen Solubility Parameters (HSP) | p. 82 |
| The FH/Hansen Model vs. the GC Methods | p. 84 |
| Applications | p. 85 |
| Solvent Selection for Paints (Activity Coefficients at Infinite Dilution) | p. 85 |
| Mixed Solvent-Polymer Phase Equilibria | p. 88 |
| Conclusions and Future Challenges | p. 90 |
| List of Abbreviations | p. 91 |
| Symbols in this Chapter | p. 92 |
| An Expression of the Flory-Huggins Model for Multicomponent Mixtures | p. 92 |
| References | p. 93 |
| Methods of Characterization - Polymers | p. 95 |
| Abstract | p. 95 |
| Introduction | p. 95 |
| Calculation of Polymer HSP | p. 97 |
| Solubility - Examples | p. 98 |
| Swelling - Examples | p. 106 |
| Melting Point Determinations - Effect of Temperature | p. 106 |
| Environmental Stress Cracking | p. 107 |
| Intrinsic Viscosity Measurements | p. 107 |
| Other Measurement Techniques | p. 109 |
| Conclusion | p. 109 |
| References | p. 110 |
| Methods of Characterization - Surfaces | p. 113 |
| Abstract | p. 113 |
| Introduction | p. 113 |
| Hansen Solubility Parameter Correlations with Surface Tension (Surface Free Energy) | p. 113 |
| Method to Evaluate the Cohesion Energy Parameters for Surfaces | p. 114 |
| A Critical View of the Critical Surface Tensions | p. 116 |
| A Critical View of the Wetting Tension | p. 117 |
| Additional Hansen Solubility Parameter Surface Characterizations and Comparisons | p. 118 |
| Self-Stratifying Coatings | p. 120 |
| Maximizing Physical Adhesion | p. 122 |
| Conclusion | p. 122 |
| References | p. 122 |
| Methods of Characterization for Pigments, Fillers, and Fibers | p. 125 |
| Abstract | p. 125 |
| Introduction | p. 125 |
| Methods to Characterize Pigment, Filler, and Fiber Surfaces | p. 126 |
| Discussion - Pigments, Fillers, and Fibers | p. 127 |
| Hansen Solubility Parameter Correlation of Zeta Potential for Blanc Fixe | p. 131 |
| Carbon Fiber Surface Characterization | p. 131 |
| Controlled Adsorption (Self-Assembly) | p. 132 |
| Conclusion | p. 134 |
| References | p. 134 |
| Applications - Coatings and Other Filled Polymer Systems | p. 137 |
| Abstract | p. 137 |
| Introduction | p. 137 |
| Solvents | p. 137 |
| Techniques for Data Treatment | p. 142 |
| Solvents and Surface Phenomena in Coatings (Self-Assembly) | p. 144 |
| Polymer Compatibility | p. 145 |
| Hansen Solubility Parameter Principles Applied to Understanding Other Filled Polymer Systems | p. 147 |
| Conclusion | p. 147 |
| References | p. 148 |
| Hansen Solubility Parameters of Asphalt, Bitumen, and Crude Oils | p. 151 |
| Abstract | p. 151 |
| Symbols Special to Chapter 9 | p. 151 |
| Introduction | p. 151 |
| Models of Bitumen | p. 152 |
| Asphaltenes | p. 154 |
| Molecular Weight | p. 154 |
| Polarity | p. 155 |
| Solubility Parameters of Bitumen | p. 155 |
| Testing of Bitumen Solubility | p. 156 |
| Hildebrand Solubility Parameters | p. 156 |
| Hansen Solubility Parameters (HSP) | p. 158 |
| The Solubility Sphere | p. 159 |
| Computer Program for Calculation and Plotting of the Hansen 3D Pseudosphere | p. 161 |
| Components of Bitumen | p. 164 |
| Bitumen and Polymers | p. 166 |
| Crude Oil | p. 169 |
| Turbidimetric Titrations | p. 170 |
| BISOM Test | p. 170 |
| Conclusion | p. 173 |
| References | p. 174 |
| Determination of Hansen Solubility Parameter Values for Carbon Dioxide | p. 177 |
| Abstract | p. 177 |
| Introduction | p. 177 |
| Methodology | p. 178 |
| One-Component Hildebrand Parameter as a Function of Temperature and Pressure | p. 187 |
| Three-Component (Hansen) Solubility Parameters - Pure CO[subscript 2] | p. 189 |
| Temperature and Pressure Effects on HSPs: [delta subscript d] | p. 190 |
| Temperature and Pressure Effects on HSPs: [delta subscript p] | p. 191 |
| Temperature and Pressure Effects on HSPs: [delta subscript h] | p. 191 |
| Conclusion | p. 196 |
| Acknowledgments | p. 196 |
| Addendum | p. 196 |
| Symbols Special to this Chapter | p. 197 |
| References | p. 197 |
| Ideal Solubility of Gases in Liquids and Published CO[subscript 2] Solubility Data | p. 199 |
| Ideal Solubility of Gases in Liquids | p. 199 |
| References | p. 201 |
| Use of Hansen Solubility Parameters to Identify Cleaning Applications for "Designer" Solvents | p. 203 |
| Abstract | p. 203 |
| Introduction | p. 203 |
| A Variety of Solvents | p. 204 |
| Pathology of Soils | p. 204 |
| HSP of Multiple-Component Soils | p. 204 |
| Method for Calculating HSP of Composites (Soils or Solvents) | p. 205 |
| More Realistic View about Evaluating HSP of Composite Soils | p. 206 |
| Method for Choice of Suitable Solvents | p. 206 |
| Reference Soils for Comparison | p. 208 |
| Identification of Designer Solvents | p. 208 |
| An Open Question - Answered | p. 208 |
| Limiting R[subscript A] Value for Expected Good Cleaning Performance | p. 210 |
| Application of HSP Methodology to Cleaning Operations | p. 212 |
| Analysis of Capability of Designer Solvents | p. 213 |
| Conclusions | p. 215 |
| Notes | p. 227 |
| Applications - Chemical Resistance | p. 231 |
| Abstract | p. 231 |
| Introduction | p. 231 |
| Chemical Resistance - Acceptable-or-Not Data | p. 232 |
| Effects of Solvent Molecular Size | p. 232 |
| Chemical Resistance - Examples | p. 233 |
| Tank Coatings | p. 233 |
| PET Film Coating | p. 234 |
| Acceptable or Not - Plastics | p. 234 |
| Tensile Strength | p. 237 |
| Special Effects with Water | p. 238 |
| Conclusion | p. 239 |
| References | p. 240 |
| Applications - Barrier Polymers | p. 243 |
| Abstract | p. 243 |
| Introduction | p. 243 |
| Concentration-Dependent Diffusion | p. 244 |
| Solubility Parameter Correlations Based on Permeation Phenomena | p. 245 |
| Solubility Parameter Correlations of Breakthrough Times | p. 245 |
| Solubility Parameter Correlation of Permeation Rates | p. 248 |
| Solubility Parameter Correlation of Polymer Swelling | p. 250 |
| Solubility Parameter Correlation of Permeation Coefficients for Gases | p. 251 |
| Laminates | p. 253 |
| General Considerations | p. 255 |
| Conclusion | p. 256 |
| References | p. 257 |
| Applications - Environmental Stress Cracking in Polymers | p. 259 |
| Abstract | p. 259 |
| Introduction | p. 259 |
| ESC Interpreted Using HSP | p. 260 |
| ESC with Nonabsorbing Stress Cracking Initiators | p. 263 |
| Discussion | p. 264 |
| Conclusion | p. 267 |
| References | p. 267 |
| Hansen Solubility Parameters - Biological Materials | p. 269 |
| Abstract | p. 269 |
| Introduction | p. 270 |
| Hydrophobic Bonding and Hydrophilic Bonding (Self-Association) | p. 271 |
| DNA | p. 273 |
| Cholesterol | p. 275 |
| Lard | p. 277 |
| Human Skin | p. 277 |
| Proteins - Blood Serum and Zein | p. 279 |
| Chlorophyll and Lignin | p. 279 |
| Wood Chemicals and Polymers | p. 279 |
| Urea | p. 283 |
| Water | p. 289 |
| Surface Mobility | p. 290 |
| Chiral Rotation, Hydrogen Bonding, and Nanoengineering | p. 290 |
| Conclusion | p. 291 |
| References | p. 291 |
| Absorption and Diffusion in Polymers | p. 293 |
| Abstract | p. 293 |
| List of Symbols Used in This Chapter | p. 293 |
| Introduction | p. 294 |
| Steady State Permeation | p. 296 |
| The Diffusion Equation | p. 296 |
| Constant Diffusion Coefficients | p. 296 |
| Concentration Dependent Diffusion Coefficients | p. 297 |
| Surface Resistance | p. 298 |
| Mathematical Background | p. 298 |
| Surface Resistance in Absorption Experiments | p. 300 |
| Surface Resistance in Permeation Experiments | p. 301 |
| Surface Resistance - A Discussion | p. 302 |
| Side Effects | p. 304 |
| Measuring Diffusion Coefficients with Surface Resistance and Concentration Dependence | p. 304 |
| Film Formation by Solvent Evaporation | p. 305 |
| Anomalous Diffusion (Case II, Super Case II) | p. 306 |
| General Comments | p. 308 |
| Conclusion | p. 308 |
| References | p. 309 |
| Applications - Safety and Environment | p. 311 |
| Abstract | p. 311 |
| Introduction | p. 311 |
| Substitution | p. 311 |
| Alternative Systems | p. 312 |
| Solvent Formulation and Personal Protection for Least Risk | p. 313 |
| The Danish Mal System - The Fan | p. 313 |
| Selection of Chemical Protective Clothing | p. 315 |
| Uptake of Contents by a Plastic Container | p. 315 |
| Skin Penetration | p. 316 |
| Transport Phenomena | p. 316 |
| Conclusion | p. 317 |
| References | p. 318 |
| The Future | p. 321 |
| Abstract | p. 321 |
| Introduction | p. 321 |
| Hansen Solubility Parameter Data and Data Quality | p. 324 |
| Group Contribution Methods | p. 328 |
| Polymers as Points - Solvents as Spheres | p. 328 |
| Characterizing Surfaces | p. 330 |
| Materials and Processes Suggested for Further Attention | p. 332 |
| Surface Active Agents | p. 332 |
| Surface Mobility (Self-Assembly) | p. 333 |
| Water | p. 334 |
| Gases | p. 336 |
| Organic Salts | p. 337 |
| Inorganic Saks | p. 337 |
| Organometallic Compounds | p. 338 |
| Aromas and Fragrances | p. 338 |
| Absorption of Chemicals in Plastics | p. 339 |
| Chemical Resistance | p. 339 |
| Controlled Release | p. 339 |
| Nanotechnology | p. 340 |
| Theoretical Problems Awaiting Future Resolution | p. 341 |
| Polymer Solubility | p. 341 |
| Surface Phenomena | p. 342 |
| Conclusion | p. 342 |
| References | p. 342 |
| Comments to Table A.1 | p. 345 |
| References | p. 346 |
| p. 347 | |
| Comments to Table A.2 | p. 485 |
| References | p. 490 |
| List of Trade Names and Suppliers | p. 491 |
| 493 | |
| Comments to Table A.3 | p. 507 |
| 508 | |
| Index | p. 511 |
| Table of Contents provided by Ingram. All Rights Reserved. |
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