Purpose
This App can be used to plot solute sphere and solvent coordinates in the Hansen space.
Installation
Download the opx file, then drag-and-drop onto the Origin workspace. An icon will appear in the Apps gallery window.
Operation
- Click App icon to open the dialog.
- Select columns for labels of solvent , and the three Hansen parameters(dispersion, polar, and hydrogen bonding).
- Enter three Hansen parameters and interaction radius of solute.
- Click OK to output graph.
Sample OPJU File
This app provides a sample OPJU file. Right click the App icon in the Apps Gallery window, and choose Show Samples Folder from the short-cut menu. A folder will open. Drag-and-drop the project file Hansen Solubility Parameter Plot Sample.opju from the folder onto Origin. The Notes window in the project shows detailed steps.
Note: If you wish to save the OPJU after changing, it is recommended that you save to a different folder location (e.g. User Files Folder).
Algorithm
The distance of the solvent coordinates from the center point of the solute sphere: \(R_a^2=4*(\delta_{d2}-\delta_{d1})^2+(\delta_{p2}-\delta_{p1})^2+(\delta_{h2}-\delta_{h1})^2\)
Relative Energy Difference (RED): \(RED=R_a/R_0\)