2021.12.1

Application Notes

Next Generation HSP²

The 50th anniversary of the Hansen Solubility Parameter (HSP) was celebrated in 2017. 

There, Yamamoto presented “Hansen-Hiroshi-Steven Solubility Parameters for Prediction (HSP² in HHSSPP). 

This includes an extension to allow HSP² to be used for another 50 years*50 years. 

Unfortunately, the features presented here are not implemented in HSPiP (or rather, most of them are not implemented yet). Also, I am not planning to put them in HSPiP itself, but in the CLI license program which is used without GUI. (Professional function)
If we don’t get feedback from users, we won’t put the HSP² features in HSPiP. (For those who have a consulting contract with us, I will provide them with a separate program if necessary.)

If you are using HSPiP and have problems such as not being able to analyze well, you may want to think about these things. 

Next Generation HSP² by Dr. YAMAMOTO、Hansen-Hiroshi-Steven Solubility Parameters for Prediction(HHSSPP)

• Preprint-Part 1: Dividing the dispersion term (δD) and new HSP distance
• Preprint-Part2: δNet parameter which hid for 50 years
• Preprint-Part3: Donor/Acceptor interaction
• Yamamoto Keynote Speech1
• Yamamoto Keynote Speech2

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.

HSP Development Team

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