Chemistry@Pirika: Hansen Solubility Parameters User's Forum
2009.8.13
Dr. Hansen (left), Prof. Abbott (center), Dr. Yamamoto(right)
Now Hansen Solubility Parameters
A User's Handbook, second Edition become BestSeller!
at CRCPress HP. ($179.95)
http://www.crcpress.com/product/isbn/9780849372483
I (Yamamoto) put several technical reports here.
If you have question about these articles, please feel free to mail me.
Application Notes
The Basic of HSP
I will explaine about basic of HSP. Hansen divid heat of vaporization energy into 3 parts, and treat as 3 dimensional vectors.
1. dD: Dispersion Energy.
2. dP: Polar Energy.
3. dH: Hydrogen Bonding Energy.
Then I can easily understand many phenomena of solubility with this vector.
Applications
HSP is not just index of solubility. When I think about molecular interaction force, the most important 3 are:
1. Van der Waals ineraction force. (dD)
2. Static electronic interaction force. (dP)
3. Hydrogen bonding interaction force.(dH)
There are several other forces such as pi-pi stacking force or Charge tansfer
interaction. HSP put other terms into dH. I can apply HSP other area that need to considerate molecular interaction force.
Polymer
The major area to be used is Polymer area. To find solvent for polymer, to search compatibility of polymers and stability research in polymer additives, HSP has beedn used for many years. When I apply HSP to solubility of polymer, the concept of "Interaction Radius" become very important. This radius of the sphere gives the limit of good solvents.
Bio, Medical, Flavor, Taste, Cosmetic
The study in these fields, the importance of HSP is increasing. Almost all researcher use only logKow(Octanol/water partition ratio), but HSP will expand your understanding.
Environment, Solvent Design
At the first stage, HSP was used designing solvents for painter from Environmental point of view. Still HSP is plying very importat role in Environmental issue.
Y-MB Properties Estimations
If you try to design new solvents system, HSP will play very important role. But still other properties are nedded. In HSPiP, there is function of Y-MB properties estimations function. It will calculate many properties from Smiles chemical structure. This function will help you to design total system.
Analytical chemistry
Especially, retention time of HPLC or GC are governed by solubility. So HSP will help understanding these RT from its chemical structure.
FFE (Formulating for Efficacy)
FFE is the independent package program to design Cosmetic formulating. The basic concept of this program is similar to DDS (Drug Delivery System). But they did not use the word DDS, but use "Cosmetic Actives Delivery". How does this system work? If you want to dissolve some "Actives" in Cosmetic cream, the solubility is very important. But if the cream and Actives interaction is very high, Actives will not deliver to skin. For that solubility evaluation, FFE use Hansen Solubility Parameter (HSP).
Other topics, Inorganics
Other topics about HSP. For inorganics, they will not dissolve to solvents but just disperse. Even though HSP can handle such phenomena.
DIY (Do it Yourself)
If you use HSPiP, you can do a lot of things. But if you use HSPiP with Y-MB, you can do much more.
The Pirika program that provide for HSP
Java programs for HSP
If you are very beginner of HSP, please play with these JAVA applets. You will become familiar to HSP even you do not have HSPiP. If you want to run these program, you need to install JRE and set the option properly.
HTML5 programs for HSP
These days, I change proram language JAVA to JAVAScript because, Apple throw away JAVA. I am not professional programer but just a chemist, and JavaScript is much better language for me. The largest problem of HTML5 programs is that IE browser for Windows did not support HTML5. Please use FireFox, Chrome or Safari if you want to run these programs. iOS for iPad is one choice.
The Sphere
The Sphere Concept was developed by Dr. Hansen. When he tried to 3D plot HSP(dD, dP, dH) of good solvents and poor solvents for one polymer with the apparatus showed below (1967), he noticed all the good solvents' HSP were very similar position and make "Sphere" in 3D space.
Now it past more than 40 years, thanks to HSPiP, we can see the sphere on computer. And I developed Web version of Sphere viewer. "Seeing is Believing" Please try if your browser support this programs.
Sphere Viewer
JAVA 3D program to see the Sphere.
Almost all computer may not be installed JAVA 3D. If you are sure to install, follow the link.
HTML5+JavaScript program to see the Sphere
If you are using adequate browser, please use this HTML5+JavaSript version of viewer.
Chemistry@Pirika
The basic of properties estimation function is developed at Pirika and implemented into HSPiP. If you want to know much about properties estimation, please refer to Chemistry@Pirika
