730:
available, 'Sphere' software for determining HSP values of polymers, inks, quantum dots etc. is available (or easy to implement in one's own software) and the new
Stefanis-Panayiotou method for estimating HSP from Unifac groups is available in the literature and also automated in software. All these new capabilities are described in the e-book, software, datasets described in the external links but can be implemented independently of any commercial package.
682:): they cannot account for negative deviations from Raoult's law that result from effects such as solvation (often important in water-soluble polymers) or the formation of electron donor acceptor complexes. Like any simple predictive theory, HSP are best used for screening with data used to validate the predictions. Hansen parameters have been used to estimate Flory-Huggins Chi parameters, often with reasonable accuracy.
772:, which have the same Hildebrand parameter, are each incapable of dissolving typical epoxy polymers. Yet a 50:50 mix gives a good solvency for epoxies. This is easily explainable knowing the Hansen parameter of the two solvents and that the Hansen parameter for the 50:50 mix is close to the Hansen parameter of epoxies.
678:. All practical correlations of phase equilibrium involve certain assumptions that may or may not apply to a given system. In particular, all solubility parameter-based theories have a fundamental limitation that they apply only to associated solutions (i.e., they can only predict positive deviations from
158:
These three parameters can be treated as co-ordinates for a point in three dimensions also known as the Hansen space. The nearer two molecules are in this three-dimensional space, the more likely they are to dissolve into each other. To determine if the parameters of two molecules (usually a solvent
729:
2008 work by Abbott and Hansen has helped address some of the above issues. Temperature variations can be calculated, the role of molar volume ("kinetics versus thermodynamics") is clarified, new chromatographic ways to measure HSP are available, large datasets for chemicals and polymers are
733:
Sometimes
Hildebrand solubility parameters are used for similar purposes. Hildebrand parameters are not suitable for use outside their original area which was non-polar, non-hydrogen-bonding solvents. The Hildebrand parameter for such non-polar solvents is usually close to the Hansen
877:
M. Belmares, M. Blanco, W. A. Goddard III, R. B. Ross, G. Caldwell, S.-H. Chou, J. Pham, P. M. Olofson, Cristina Thomas, Hildebrand and Hansen
Solubility Parameters from Molecular Dynamics with Applications to Electronic Nose Polymer Sensors, J Comput. Chem. 25: 1814–1826,
392:
612:
Historically Hansen solubility parameters (HSP) have been used in industries such as paints and coatings where understanding and controlling solvent–polymer interactions was vital. Over the years their use has been extended widely to applications such as:
703:
It has been shown that it is possible to calculate HSP via molecular dynamics techniques, though currently the polar and hydrogen bonding parameters cannot reliably be partitioned in a manner that is compatible with Hansen's values.
719:
The parameters are an approximation. Bonding between molecules is more subtle than the three parameters suggest. Molecular shape is relevant, as are other types of bonding such as induced dipole, metallic and electrostatic
220:
483:
665:
Safer, cheaper, and faster solvent blends where an undesirable solvent can be rationally replaced by a mix of more desirable solvents whose combined HSP equals the HSP of the original solvent.
188:) is given to the substance being dissolved. This value determines the radius of the sphere in Hansen space and its center is the three Hansen parameters. To calculate the distance (
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has been the subject of debate. There is some theoretical basis for the factor of four (see Ch 2 of Ref 1 and also. However, there are clearly systems (e.g. Bottino
212:
900:
815:
The Three
Dimensional Solubility Parameter and Solvent Diffusion Coefficient and Their Importance in Surface Coating Formulation
849:
387:{\displaystyle \ (Ra)^{2}=4(\delta _{d2}-\delta _{d1})^{2}+(\delta _{p2}-\delta _{p1})^{2}+(\delta _{h2}-\delta _{h1})^{2}}
432:
927:
Stefanis, E.; Panayiotou, C. (2008). "Prediction of Hansen
Solubility Parameters with a New Group-Contribution Method".
697:(4), 785-79, 1988) where the regions of solubility are far more eccentric than predicted by the standard Hansen theory.
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The size of the molecules also plays a significant role in whether two molecules actually dissolve in a given period.
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C. M. Hansen, "Polymer science applied to biological problems: Prediction of cytotoxic drug interactions with DNA",
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HSP effects can be over-ridden by size effects (small molecules such as methanol can give "anomalous results").
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Patterson, D., Role of Free Volume
Changes in Polymer Solution Thermodynamics, J. Polym. Sci. Part C,
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value. A typical example showing why
Hildebrand parameters can be unhelpful is that two solvents,
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Permeation of solvents and chemicals through plastics to understand issues such as glove safety,
79:
571:
492:
693:, "Solubility parameters of poly(vinylidene fluoride)" J. Polym. Sci. Part B: Polymer Physics
45:
Specifically, each molecule is given three Hansen parameters, each generally measured in MPa:
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of solvents into polymers via understanding of surface concentration based on RED number
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Artificial noses (where response depends on polymer solubility of the test odor)
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Interactive web app for finding solvents with matching solubility parameters
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214:) between Hansen parameters in Hansen space the following formula is used:
42:
is defined as being 'like' another if it bonds to itself in a similar way.
674:
HSP have been criticized for lacking the formal theoretical derivation of
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in his Ph.D thesis in 1967 as a way of predicting if one material will
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The factor of 4 in front of the dispersion term in the calculation of
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and a polymer) are within range, a value called interaction radius (
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785:(has a chart of Hansen solubility parameters for various solvents)
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Hansen
Solubility Parameters: A user's handbook, Second Edition
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gives the relative energy difference (RED) of the system:
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Understanding of solubility/dispersion properties of
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478:{\displaystyle \ RED=\textstyle {\frac {Ra}{R_{0}}}}
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716:The parameters will vary with temperature
914:Hansen Solubility Parameters in Practice
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929:International Journal of Thermophysics
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650:barrier properties and skin permeation
817:. Copenhagen: Danish Technical Press.
659:Cytotoxicity via interaction with DNA
726:The parameters are hard to measure.
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565:the system will partially dissolve
34:. They are based on the idea that
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524:the molecules are alike and will
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419:{\displaystyle R_{\mathrm {0} }}
181:{\displaystyle R_{\mathrm {0} }}
789:Hildebrand solubility parameter
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844:. Boca Raton, Fla: CRC Press.
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757:{\displaystyle \ \delta _{d}}
618:Environmental stress cracking
143:{\displaystyle \ \delta _{h}}
107:{\displaystyle \ \delta _{p}}
71:{\displaystyle \ \delta _{d}}
916:. www.hansen-solubility.com.
912:Abbott & Hansen (2008).
603:the system will not dissolve
20:Hansen solubility parameters
7:
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596:{\displaystyle \ RED>1}
517:{\displaystyle \ RED<1}
949:10.1007/s10765-008-0415-z
866:European Polymer Journal
840:Hansen, Charles (2007).
813:Hansen, Charles (1967).
114:The energy from dipolar
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207:{\displaystyle \ Ra}
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16:Concept in chemistry
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670:Theoretical context
36:like dissolves like
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770:nitroethane
708:Limitations
620:of polymers
984:Categories
935:(2): 568.
800:References
635:Buckyballs
38:where one
957:121230634
746:δ
654:Diffusion
363:δ
359:−
347:δ
318:δ
314:−
302:δ
273:δ
269:−
257:δ
132:δ
96:δ
60:δ
777:See also
526:dissolve
40:molecule
32:solution
28:dissolve
937:Bibcode
901:587.pdf
783:Solvent
766:butanol
955:
848:
794:MOSCED
742:
691:et al.
637:, and
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953:S2CID
975:Link
878:2004
846:ISBN
768:and
608:Uses
588:>
509:<
945:doi
568:If
530:If
489:If
986::
951:.
943:.
933:29
931:.
889:16
695:26
687:Ra
633:,
959:.
947::
939::
854:.
750:d
591:1
585:D
582:E
579:R
553:1
550:=
547:D
544:E
541:R
512:1
506:D
503:E
500:R
468:0
464:R
459:a
456:R
449:=
446:D
443:E
440:R
411:0
406:R
380:2
376:)
370:1
367:h
354:2
351:h
343:(
340:+
335:2
331:)
325:1
322:p
309:2
306:p
298:(
295:+
290:2
286:)
280:1
277:d
264:2
261:d
253:(
250:4
247:=
242:2
238:)
234:a
231:R
228:(
202:a
199:R
173:0
168:R
136:h
100:p
64:d
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