HSPiP: The Software

Determine HSP values of unknown materials (polymers, inks, nanoparticles, …) by scoring the solubility (or dispersibility or swellability…) of your material in a set of solvents, typically 10-40, click the Calculate button and your HSP values ( δD,  δP,  δH and Sphere Radius) are calculated and the results plotted in fully interactive 2D and 3D spaces.

You then automatically get the “RED” number for each solvent which is a good relative measure of the solubility of the material in that solvent.

By clicking on the P button you get access to a database of ~500 polymers. From there you can estimate polymer/polymer compatibility and solvent polymer compatibility. Here, for example is a list of polymer matches for Polysuphone:

Clicking the O button gives you the solvent optimizer. Here you can match a target HSP (a polymer or another solvent) and automatically identify good solvent blends or optimize a blend of solvents of your choice:

For the mixture shown in this example you can plot how the solvent blend and the HSP of that blend vary with evaporation, based on their RERs, Relative Evaporation Rates:

The data are automatically placed on the Clipboard for pasting into, e.g. Excel for further analysis.

Note that the calculations take into account Activity Coefficient effects between the solvents. You can even to it at other temperatures where both the HSP values and the Relative Evaporation Rates are automatically estimated for you:

You can estimate HSP by a variety of methods. Here for example is the new Stefanis-Panayiotou method for estimating HSP based on UNIFAC group contributions:

There is a full-scale Diffusion modeller for complex absorption and desorption of solvents within polymers. The diffusion equation is be solved for your combinations of boundary conditions, including a possibly significant surface resistance, and for either a constant diffusion coefficient or one that depends exponentially on the local concentration.

There’s even a method for predicting HSP from HPLC data (or HPLC retention times from HSP values):

You always get the chance to copy the current view of the data onto the Clipboard for pasting into reports or emails.