Barton Handbook Of Solubility Parameters

  

The solubility parameter (δ) or cohesive energy density (c, where δ = c 1/2) defines the cohesive forces between solute and solvent molecules in solution (e.g., fluorous solute. The Three Dimensional Solubility Parameter and Solvent Diffusion Coefficient, Doctoral Dissertation, The Technical University of Denmark, Danish Technical Press, Copenhagen, 1967. PDF file can be found on www.hansen-solubility.com. 8) Barton, A.F.M., Handbook of Solubility Parameters and Other Cohesion Parameters, CRC Press, Boca Raton FL, 1983. CRC handbook of solubility parameters and other cohesion parameters by Barton, Allan F. Publication date 1991 Topics. In a world of aqueous and nonaqueous electrolytes. Barton's recent work, 'Handbook of Solubility Parameters and Other Cohesion Parameters”2 is a good starting point for a serious study. Kamlet et a13 offer some newer thoughts on solubility including more recent references. Jensen4 in a recent chapter correctly notes that most of the solubility.

The Hildebrand solubility parameter (δ) provides a numerical estimate of the degree of interaction between materials and can be a good indication of solubility, particularly for nonpolar materials such as many polymers. Materials with similar values of δ are likely to be miscible.

Definition[edit]

The Hildebrand solubility parameter is the square root of the cohesive energy density:

Barton Handbook Of Solubility Parameters Free

δ=ΔHv−RTVm.{displaystyle delta ={sqrt {frac {Delta H_{v}-RT}{V_{m}}}}.}

The cohesive energy density is the amount of energy needed to completely remove unit volume of molecules from their neighbours to infinite separation (an ideal gas). This is equal to the heat of vaporization of the compound divided by its molar volume in the condensed phase. In order for a material to dissolve, these same interactions need to be overcome, as the molecules are separated from each other and surrounded by the solvent. In 1936 Joel Henry Hildebrand suggested the square root of the cohesive energy density as a numerical value indicating solvency behavior.[1] This later became known as the “Hildebrand solubility parameter”. Materials with similar solubility parameters will be able to interact with each other, resulting in solvation, miscibility or swelling.

Uses and limitations[edit]

Its principal utility is that it provides simple predictions of phase equilibrium based on a single parameter that is readily obtained for most materials. These predictions are often useful for nonpolar and slightly polar (dipole moment < 2 debyes[citation needed]) systems without hydrogen bonding. It has found particular use in predicting solubility and swelling of polymers by solvents. More complicated three-dimensional solubility parameters, such as Hansen solubility parameters, have been proposed for polar molecules.

The principal limitation of the solubility parameter approach is that it applies only to associated solutions ('like dissolves like' or, technically speaking, positive deviations from Raoult's law): it cannot account for negative deviations from Raoult's law that result from effects such as solvation or the formation of electron donor–acceptor complexes. Like any simple predictive theory, it can inspire overconfidence: it is best used for screening with data used to verify the predictions.[citation needed]

Units[edit]

The conventional units for the solubility parameter are (calories per cm3)1/2, or cal1/2 cm−3/2. The SI units are J1/2 m−3/2, equivalent to the pascal1/2. 1 calorie is equal to 4.184 J.

1 cal1/2 cm−3/2 = (4.184 J)1/2 (0.01 m)−3/2 = 2.045 103 J1/2 m−3/2 = 2.045 MPa1/2.

Given the non-exact nature of the use of δ, it is often sufficient to say that the number in MPa1/2 is twice the number in cal1/2 cm−3/2.Where the units are not given, for example, in older books, it is usually safe to assume the non-SI unit.

Examples[edit]

Substanceδ[1] [cal1/2 cm−3/2]δ [MPa1/2]
n-Pentane7.014.4
n-hexane7.2414.9
Diethyl Ether7.6215.4
Ethyl Acetate9.118.2
Chloroform9.2118.7
Dichloromethane9.9320.2
Acetone9.7719.9
2-propanol11.623.8
Ethanol12.9226.5
PTFE6.2[2]
Poly(ethylene)7.9[2]
Poly(propylene)8.2[3]16.6
Poly(styrene)9.13[2]
Poly(phenylene oxide)9.15[2]
PVC9.5[3]19.5
Polyurethane (PU/PUR)8.9[3]
PET10.1[3]20.5
Nylon 6,613.7[3]28
Poly(methyl methacrylate)9.3[3]19.0
(Hydroxyethyl)methacrylate25–26[4]
poly(HEMA)26.93[4]
Ethylene glycol29.9,[4] 33.0

From the table, poly(ethylene) has a solubility parameter of 7.9 cal1/2 cm−3/2. Good solvents are likely to be diethyl ether and hexane. (However, PE only dissolves at temperatures well above 100 °C.) Poly(styrene) has a solubility parameter of 9.1 cal1/2 cm−3/2, and thus ethyl acetate is likely to be a good solvent. Nylon 6,6 has a solubility parameter of 13.7 cal1/2 cm−3/2, and ethanol is likely to be the best solvent of those tabulated. However, the latter is polar, and thus we should be very cautions about using just the Hildebrand solubility parameter to make predictions.

See also[edit]

References[edit]

Parameters

Notes[edit]

  1. ^ abJohn Burke (1984). 'Part 2. Hildebrand Solubility Parameter'. Retrieved 2013-12-04.CS1 maint: discouraged parameter (link)
  2. ^ abcd'Examples of Solubility Parameters'. Retrieved 2007-11-20.CS1 maint: discouraged parameter (link)
  3. ^ abcdefVandenburg, H.; et al. (1999). 'A simple solvent selection method accelerated solvent extraction of additives from polymers'. The Analyst. 124 (11): 1707–1710. doi:10.1039/a904631c.
  4. ^ abcKwok A. Y., Qiao G. G., Solomon D. H. (2004). 'Synthetic hydrogels 3. Solvent effects on poly(2-hydroxyethyl methacrylate) networks'. Polymer. 45: 4017–4027. doi:10.1016/j.polymer.2004.03.104.CS1 maint: uses authors parameter (link)

Bibliography[edit]

Barton, A. F. M. (1991). Handbook of Solubility Parameters and Other Cohesion Parameters (2nd ed.). CRC Press.

Barton Handbook Of Solubility Parameters Class

Barton, A. F. M. (1990). Handbook of Polymer Liquid Interaction Parameters and Other Solubility Parameters. CRC Press.

External links[edit]

  • Abboud J.-L. M., Notario R. (1999) Critical compilation of scales of solvent parameters. part I. pure, non-hydrogen bond donor solvents – technical report. Pure Appl. Chem. 71(4), 645–718 (IUPAC document with large table (1b) of Hildebrand solubility parameter (δH))
Retrieved from 'https://en.wikipedia.org/w/index.php?title=Hildebrand_solubility_parameter&oldid=1008640938'

Barton Handbook Of Solubility Parameters

The standard book on HSP science is Dr Hansen's Hansen Solubility Parameters: A User's Handbook, Second Edition published in 2007 by CRC Press.

It is an official CRC Bestseller!

Barton Handbook Of Solubility Parameters 2

The Table of Contents gives a good idea of the vast scope of the book and its authoritative nature.

Table of Contents

Barton Handbook Of Solubility Parameters Worksheet

  1. Solubility Parameters — An Introduction;C.M. Hansen
    • Hildebrand Parameters and Basic Polymer Solution Thermodynamics
    • Hansen Solubility Parameters
    • Methods and Problems in the Determination of Partial Solubility Parameters
    • Calculation of the Dispersion Solubility Parameter δd
    • Calculation of the Polar Solubility Parameter δp
    • Calculation of the Hydrogen Bonding Solubility Parameter δh
    • Supplementary Calculations And Procedures
    • Hansen Solubility Parameters for Water
  2. Theory — The Prigogine Corresponding States Theory, the c12 Interaction Parameter, and the Hansen Solubility Parameters;C.M. Hansen
    • Hansen Solubility Parameters (HSP)
    • Resemblance Between Predictions of Hansen Solubility Parameters and Corresponding States Theories
    • The c12Parameter and Hansen Solubility Parameters
    • Comparison of Calculated and Experimental c12 Parameters
    • General Discussion
    • Postscript
  3. Statistical Thermodynamic Calculations of the Hydrogen Bonding, Dipolar, and Dispersion Solubility Parameters;C. Panayiotou
    • Theory
    • Applications
    • Discussion and Conclusions
    • Appendix I: The Acid Dimerization
    • Appendix II: An Alternative Form of the Polar Term
    • Appendix III: A Group-Contribution Method for the Prediction of δ and δD
  4. Hansen Solubility Parameters (HSP) in Thermodynamic Models for Polymer Solutions;G.M. Kontogeorgis
    • Group Contribution Methods for Estimating Properties of Polymers
    • Activity Coefficients Models Using the HSP
    • Conclusions and Future Challenges
    • Appendix I: An Expression of the FH Model for Multicomponent Mixture
  5. Methods of Characterization — Polymers;C.M. Hansen
    • Calculation of Polymer HSP
    • Solubility — Examples
    • Swelling — Examples
    • Melting Point Determinations — Effect of Temperature
    • Environmental Stress Cracking
    • Intrinsic Viscosity Measurements
    • Other Measurement Techniques
  6. Methods of Characterization — Surfaces;C.M. Hansen
    • Hansen Solubility Parameter Correlations with Surface Tension (Surface Free Energy)
    • Method to Evaluate the Cohesion Energy Parameters for Surfaces
    • A Critical View of the Critical Surface Tensions
    • A Critical View of the Wetting Tension
    • Additional Hansen Solubility Parameter Surface Characterizations and Comparisons
    • Self-Stratifying Coatings
    • Maximizing Physical Adhesion
  7. Methods of Characterization for Pigments, Fillers, and Fibers;C.M. Hansen
    • Methods to Characterize Pigment, Filler, and Fiber Surfaces
    • Discussion — Pigments, Fillers, and Fibers
    • Hansen Solubility Parameter Correlation of Zeta Potential for Blanc Fixe
    • Carbon Fiber Surface Characterization
    • Controlled Adsorption (Self-Assembly)
  8. Applications — Coatings and Other Filled Polymer Systems;C.M. Hansen
    • Solvents
    • Techniques for Data Treatment
    • Solvents and Surface Phenomena in Coatings (Self-Assembly)
    • Polymer Compatibility
    • Hansen Solubility Parameter Principles Applied to Understanding Other Filled Polymer Systems
  9. Hansen Solubility Parameters of Asphalt, Bitumen and Crude Oils;P. Redelius
    • Models of Bitumen
    • Asphaltenes
    • Molecular Weight
    • Polarity
    • Solubility Parameters of Bitumen
    • Testing of Bitumen Solubility
    • Hildebrand Solubility Parameters
    • Hansen Solubility Parameters (HSP)
    • The Solubility Sphere
    • Computer Program for Calculation and Plotting of the Hansen 3D Pseudosphere
    • Components of Bitumen
    • Bitumen and Polymers
    • Crude Oil
    • Turbidimetric Titrations
    • BISOM Test
  10. Determination of Hansen Solubility Parameter Values for Carbon Dioxide;L.L. Williams
    • Methodology
    • One-Component Hildebrand Parameter as a Function of Temperature and Pressure
    • Three-Component (Hansen) Solubility Parameters — Pure CO2
    • Temperature and Pressure Effects on HSPs: δd
    • Temperature and Pressure Effects on HSPs: δp
    • Temperature and Pressure Effects on HSPs: δh
    • Addendum
    • Appendix I: Ideal Solubility of Gases in Liquids and Published CO2 Solubility Data
  11. Use of Hansen Solubility Parameters to Identify Cleaning Applications for “Designer” Solvents;J. Durkee
    • A Variety of Solvents
    • Pathology of Soils
    • HSP of Multiple-Component Soils
    • Method for Calculating HSP of Composites (Soils or Solvents)
    • More Realistic View About Evaluating HSP of Composite Soils
    • Method for Choice of Suitable Solvents
    • Reference Soils for Comparison
    • Identification of Designer Solvents
    • An Open Question — Answered
    • Limiting RA Value For Expected Good Cleaning Performance
    • Application of HSP Methodology to Cleaning Operations
    • Analysis of Capability of Designer Solvents
  12. Applications — Chemical Resistance;C.M. Hansen
    • Chemical Resistance — Acceptable-or-Not Data
    • Effects of Solvent Molecular Size
    • Chemical Resistance — Examples
    • Special Effects with Water
  13. Applications — Barrier Polymers;C.M. Hansen
    • Concentration-Dependent Diffusion
  14. Solubility Parameter Correlations Based on Permeation Phenomena
    • Solubility Parameter Correlation of Polymer Swelling
    • Solubility Parameter Correlation of Permeation Coefficients for Gases
    • General Considerations
  15. Applications – Environmental Stress Cracking in Polymers;C.M. Hansen
    • ESC Interpreted Using HSP
    • ESC With Nonabsorbing Stress Cracking Initiators
  16. Hansen Solubility Parameters — Biological Materials;C.M. Hansen and T. Svenstrup Poulsen
    • Hydrophobic Bonding and Hydrophilic Bonding (Self-Association)
    • DNA
    • Cholesterol
    • Lard
    • Human Skin
    • Proteins — Blood Serum and Zein
    • Chlorophyll and Lignin
    • Wood Chemicals and Polymers
    • Urea
    • Water
    • Surface Mobility
    • Chiral Rotation, Hydrogen Bonding, and Nanoengineering
  17. Absorption and Diffusion in Polymers;C.M. Hansen
    • Steady State Permeation
    • The Diffusion Equation
    • Surface Resistance
    • Side Effects
    • Film Formation by Solvent Evaporation
    • Anomalous Diffusion (Case II, Super Case II)
  18. Applications — Safety and Environment;C.M. Hansen
    • Substitution
    • Alternative Systems
    • Solvent Formulation And Personal Protection For Least Risk
    • The Danish Mal System — The Fan
    • Selection of Chemical Protective Clothing
    • Uptake of Contents by a Plastic Container
    • Skin Penetration
    • Transport Phenomena
  19. The Future
    • Hansen Solubility Parameter Data and Data Quality
    • Group Contribution Methods
    • Polymers as Points — Solvents as Spheres
    • Characterizing Surfaces
    • Materials and Processes Suggested for Further Attention
    • Theoretical Problems Awaiting Future Resolution
  20. Appendices
    • Hansen Solubility Parameters for Selected Solvents with the major contribution of Hanno Priebe
    • Hansen Solubility Parameters for Selected Correlations
    • Solubility Data for the Original 33 Polymers and 88 Solvents
  21. Index