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last update
28-Jan-2013

HSP Application note #56

Hansen Solubility Parameter (HSP) and Adhesive

2010.10.2

HSPiP Team Senior Developer, Dr. Hiroshi Yamamoto

 

I think the most important first paper related Solubility Parameter and Adhesive Agent is next paper.
IYENGAR and D. E. ERICKSON, “Role of Adhesive-Substrate Compatibility in Adhesion”, Journal of Applied Polymer Science Vol. 11, PP. 2311-2324 (1967)

They measured Peel Strength of PET with several Adhesives.
With this result, they concluded PET Solubility Parameter should be 10.3.

The same year, Charles M. Hansen wrote very important Book.
Charles M. Hansen “The Three Dimensional Solubility Parameter and Solvent Diffusion Coefficient”Copenhargen Danish Technical Press 1967

After Hansen Solubility Parameter(HSP) were published these adhesive phenomena are also analyzed with HSP.

Hansen Solubility Parameters (HSP)

Hansen Solubility Parameters(HSP) were developed by Charles M. Hansen as a way of predicting if one material will dissolve in another and form a solution. They are based on the idea that "like dissolves like" where one molecule is defined as being 'like' another if it bonds to itself in a similar way.
Specifically, each molecule is given three Hansen parameters, each generally measured in MPa0.5:
dD:The energy from dispersion bonds between molecules
dP:The energy from dipolar intermolecular force between molecules
dH:The energy from hydrogen bonds between molecules.
These three parameters can be treated as Vector for a point in three dimensions also known as the Hansen space. The nearer two molecules HSP Vector are in this three dimensional space, the more likely they are to dissolve into each other.

What can perhaps be surprising is that one can assign HSP to so many different things. Gases like carbon dioxide, solids like carbon-60, sugar, and biological materials like human skin, depot fat, DNA, and even some proteins all have HSP. The list can be continued with drugs, polymers, plasticizers, and in fact any organic material and even many inorganic materials like salts. The only requirement for an experimental confirmation is that the material must behave differently in a sufficient number of test solvents upon contact.

Pirika JAVA Demo Applet calculate HSP. HSPLight is available here.
Please refer to e-Book of HSPiP if you want know more about HSP.
About the Power Tools that handle HSP more effectively.

 

At the beginning, it was very hard to get 3D chart. So researcher used 2D plot.
The above figure is Chloroprene rubber adhesive solubility to solvents.
Good solvents make domain.

Now we can use HSPiP

HSPiP(Hansen Solubility Parameters in Practice)

The first edition of HSPiP that appeared in November, 2008, greatly enhanced the usefulness of the Hansen solubility parameters (HSP).

The HSP values of over 1200++ chemicals and 500 polymers are provided in convenient electronic format and have been revised and updated using the latest data sources in the second edition (March, 2009).

A third edition of the HSPiP appeared in March, 2010. There are now 10,000 compounds in the HSP file which also includes data on density, melting point, boiling point, critical parameters, Antoine constants and much more. The user is able to carry out many different sorts of optimisations of solubility, evaporation, diffusion, adhesion, create their own datasets (automatically if required) and explore the huge range of applications for HSP in coatings, paints, nanoparticles, cosmetics, pharma, organic photovoltaics and much more.

The 3rd Edition v3.1 was released on 12 December 2010. Current users can upgrade free (now v3.1.09) by downloading the latest .msi installer from http://hansen-solubility.com

The 4th Edition v4.0.x was released on 2 Jan. 2013. The Current users can upgrade with free charge.

2013.1.28 The Visual How to manual of HSPiP. You can understand what HSPiP can do.
Please check the Functional Group List whether your targets are available with HSPiP.
How to purchase HSPiP
2013..1.2 The HSPiP ver. 4 include Power Tools for HSPiP power user.

 

I got this rubber HSP [19.12, 3.74, 4.45] and the Radius 7.2 instantly.

Hansen Sphere

To determine if the parameters of two molecules (usually a solvent and a polymer) are within range a value called interaction radius (R0) 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.

From version 3.1.X, Double Spheres function is available.

Pirika provide JAVA 3D Demo Applet to browse the Sphere(s).
The HTML5 Sphere Viewer examples are available here.
Now we have Power Tool "Sphere Viewer", GUI HTML5 software on HSPiP ver. 4.

2011.4.27

Drag=Rotate, Drag+Shift=Larger/Smaller, Drag+Alt or Command(Window key)=Translate.

If you are using HTML5 enable browser such as Chrome, Safari or FireFox (IE9 is out of support), you will see the Canvas. If you pick solvent, solvent name will appear.

 

.

Please check which 2 poor solvents cross into the green Sphere.

 

The other example is Epoxy Adhesive.
I got the Epoxy Resin Swelling data.

1:Hexane, 2:c-Hexane, 3:Propylene Carbonate, 4:Triethanol amine, 5:Methanol, 6:Ethanol, 7:Dimethyl Sulfoxide, 8:Dimethyl formamide, 9:Methyl cellosolve, 10:Methyl pyrolidone, 11:Cellosolve, 12:Butyl cellosolve, 13:Methylene chloride, 14:Trichloro Ethane, 15:Toluene, 16:Xylene, 17:Buthyl acetate, 18:Ethyl acetate, 19:MEK, 20:Acetone, 21:2-propanol, 22:2-butanol, 23:1-butanol, 24:Tetrahydrofuran, 25:Anon, 26:Dioxane

From this chart, we can easily understand Hildebrand SP means nothing.
Even same SP value, swelling ability is so different.

If we use HSP, we can easily understand good swelling solvent make domain.

You can handle Solvents mixture easily.

HSP of Solvents Mixture

[dDm, dPm, dHm]=[(a*dD1+b*dD2), (a*dP1+b*dP2),(a*dH1+b*dH2)]/(a+b)

Volume base ratio.

Pirika Java demo applet design solvents mixture. GSD is available here.

 

This epoxy resine is made by EPIKOTE828 with VERSAMID125.
Epoxy produce hydroxy group when polymerize, so by nature, epoxy resine has hydrophobic domain and hydrophilic domain.

2011.4.27

Drag=Rotate, Drag+Shift=Larger/Smaller, Drag+Alt or Command(Window key)=Translate.

If you are using HTML5 enable browser such as Chrome, Safari or FireFox (IE9 is out of support), you will see the Canvas. If you pick solvent, solvent name will appear.

 

Now we developed new Sphere option that treat double spheres.

When run the Double sphere program, it found two domain [19.1, 6.6, 6.1] and [18.3, 5.9,13.9].
And we can check which solvent belong to which Sphere with using Self Organization Map(SOM) technique.

SOM: Self Organization Map Neural Network 

The 2D Map of "Smilar vector map to similar 2D position".

If we split dH to dHdo, dHac then HSP vector become 4 dimensions.
That is the very bad news for user. Because the Sphere and GUI can not expand to 4 dimensions.
So we start to develop SOM program to check vector similarity.

Pirika JAVA Demo Applet calculate SOM. SOMDemo is available here.

 

These micro phase separation of epoxy resine may make enhance adhesive ability so much.

You can try this Double Sphere algorithm with HSPiP ver. 3.1!

Intrinsic Viscosity of polymer solution.