Barton Handbook Of Solubility Parameters

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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]

Barton CRC Press, Oct 29, 1991 - Science - 768 pages 1 Review The CRC Handbook of Solubility Parameters and Other Cohesion Parameters, Second. Solubility Parameters ALLAN F. BARTON. Chemistry Department, Victoria University of Wellington, Private Bag, Wellington, New Zealand Received June 7, 1974 (Revised Manuscript Received October 29, 1974).

Barton Handbook Of Solubility Parameters Pdf

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

δ=ΔHvRTVm.{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]

Barton handbook of solubility parameters worksheet

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]

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)
Handbook

Bibliography[edit]

Barton Handbook Of Solubility Parameters Worksheet

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

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'

The referenced reports, books, and papers from professional scientists and academics present solubility parameters in great detail, and perform a full description of the mathematical modelling to determine the definition of solubility parameters. It is the question of “What do solubility parameters do?” which created the passion of developing this website. This page provides a list of these documents to allow credit to be given to those great scientists that developed and performed the research necessary to understand the science. This website attempts to define and utilize solubility parameters for their predictive qualities and allow for their application. In order to maximize this website to its fullest potential, it is of certain importance to understand their teachings and these basic concepts.

The following reference documents are provided for a bibliographic citation and an inspiration of the development of this website.

Barton Handbook Of Solubility Parameters 2

  • Hansen, C.M., The Free Volume Interpretation of the Drying of Lacquer Films, Institute for the Chemical Industry, The Technical University of Denmark, Copenhagen, 1964,
  • Burrell, H., A solvent formulating chart, Dig. Fed. Soc. Paint Technol, 29(394), 1159-1173, 1957. Burrell, H., The use of the solubility parameter concept in the United States, VI Federation d’Associations de Techniciens des Industries des Peintures, Vernis, Emaux et Encres d’Imprimerie de l’Europe Continentale, Congress Book, (The FATIPEC Congress book), 21-30, 1962.
  • Blanks, R.F. and Prausnitz, J.M., Thermodynamics of polymer solubility in polar and nonpolar systems, Eng. Chem. Fundam., 3(1), 1-8, 1964.
  • Hansen, C.M., The three dimensional solubility parameter – key to paint component affinities I. – Solvents, plasticizers, polymers and resins, Paint Technol., 39(505), 104-117, 1967.
  • Hansen, C.M., The three dimensional solubility parameter – key to paint component affinities II. Dyes, emulsifiers, mutual solubility and compatibility, and pigments. Paint Technol., 39(511), 505-510, 1967.
  • Hansen, C.M., The three dimensional solubility parameter – key to paint component affinities III. Independent calculation of the parameter components. Paint Technol., 39(511), 511-514, 1967.
  • Hansen, C.M., 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 hansen-solubility.com.
  • Barton, A.F.M., Handbook of Solubility Parameters and Other Cohesion Parameters, CRC Press, Boca Raton FL, 1983.
  • Barton, A.F.M., Handbook of Solubility Parameters and Other Cohesion Parameters, 2nd, CRC Press, Boca Raton FL, 1991.
  • Hansen, C.M. and Beerbower, A., Solubility Parameters, in Kirk-Othmer Encyclopedia of Chemical Technology, Suppl. Vol., 2nd, Standen, A., Ed., Interscience, New York, 1971, pp 889-910.
  • Beerbower, A., Boundary Lubrication – Scientific and Technical Applications Forecast, AD747336, Office of the Chief of Research and Development, Department of the Army, Washington, D.C., 1972.
  • Beerbower, A., Surface free energy: a new relationship to bulk energies, Colloid Interface Sci., 35, 126-132, 1971.
  • Hansen, C.M. Hansen Solubility Parameters: A User’s Handbook, CRC Press, Boca Raton FL, 1999.
  • Hansen, C.M., Hansen Solubility Parameters: A User’s Handbook, 2nd, CRC Press, Boca Raton FL, 2007

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