Features

1. Prediction capability

The HSPiP package has successfully applied Hansen solubility parameters for more than 50 years and is encapsulated in a single package. If you don’t know HSP, check out the simple summary on Wikipedia or use your favorite search engine to discover how many people in industry and academia are solving real-world problems every day: polymers, solvents, nanoparticles, diffusion, flavors and flavors, safety, printed electronics, organic photovoltaics, photoresists, plasticizers, food science. The key to HSPiP’s success is to provide the predictive power of HSP in a unified package, while all information and calculation tools are immediately actionable.

2. All-in-one

HSPiP is an e-book, a software, a set of data sets, and some working examples, all packaged together. Now, there are HSP and other data on 10,000 chemicals in the current version. The software can not only calculate and visualize HSP in 3D, it also has a solvent optimizer (up to 8 solvents, and a plot of solvent mixture changes based on relative evaporation rate, activity coefficient, and temperature), a polymer calculator, a DIY HSP calculator, and a powerful diffusion modeler. You can measure HSP of liquids/oligomers with IGC. It even predicts retention times for GC and HPLC for you! In addition to yes/no solubility, you can fit dual spheres and data value sets (e.g. solubility). You can predict vapor liquid equilibrium and azeotropes with the new powerful engine.

When we say HSPiP has predictive power, we really mean it. Real-world formulators have access to a powerful set of tools that point them to the best solutions to their formulation problems. We don’t just say that, we use the predictive power of HSPiP in our daily work.

At over 300 pages, this eBook contains minimal theory and maximum practical experience to help you solve your solubility-related problems.

It was originally developed by two experts who used HSP to solve real-world problems and are passionate about helping others use them. With the help of Dr. Hiroshi Yamamoto, we have been able to add more capabilities to the basic HSP functionality.

It shows how HSP can solve polymers, detergents, paints, adhesion, coatings, quantum dots, asphalt, skin safety, HPLC, nose (artificial and natural), carbon nanotubes and C60, environmental stress cracking, diffusion, environment, nanoclays, surfactants, (cell) toxicity, and more.

It illustrates why HSP combines such power with such elegant simplicity.

It provides state-of-the-art correlations to measurable parameters such as dipole moments via the classic (but limited) Hoy and Van Krevelen method, via the Stefanis-Panayiotou group contribution method, and via the automatic Y-MB method entirely from SMILES or Molfile input.

New Features

HSPiP 6.0.4.1 Update History

HSPiP 6.0 now uses the Y-MB24 algorithm to calculate core HSP parameters. As always, the new Y-MB averages are better.

The process of loading 3D files (molfiles, etc.) into Y-MB has been simplified and made more robust for common file formats. If necessary, you can use OpenBabel to pre-convert to the .mol, .sdf, or .pdf format you are using.

When you click the S button to view the selected solvent, an S+ option appears. You can now get some indicators of how good your solvent selection might be, as well as ways to change one or two solvents to make it more likely that you will get good measurements for your solutes.

The P = polymer form has been used to store other data, such as pharmaceutical APIs or nanoparticles, this has been changed in HSPiP 6.0 to M = material and polymer

An annoying feature of 3DO wireframes that would not allow you to identify internal solvents with the mouse has been fixed.

In DIY, there is now an option to add your molecules to the main solvent table as well as the solvent optimizer.