File Exchange > Graphing >    Hansen Solubility Parameter Plot

Author:
OriginLab Technical Support
Date Added:
4/11/2022
Last Update:
5/11/2022
Downloads (90 Days):
86
Total Ratings:
3
File Size:
348 KB
Average Rating:
File Name:
Hansen_Sol...ot.opx
File Version:
1.00
Minimum Versions:
License:
Type:
App
Summary:

Plot solute sphere and solvent coordinates using Hansen solubility parameters.

Screen Shot and Video:
Description:

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

  1. Click App icon to open the dialog.
  2. Select columns for labels of solvent , and the three Hansen parameters(dispersion,  polar, and hydrogen bonding).
  3. Enter three Hansen parameters and interaction radius of solute.
  4. 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): \(RED=R_a/R_0\)

Updates:

Reviews and Comments:
03/16/2023kuritkaFantastic!
Thank you for the immediate answer. It works.
Best regards,
Ivo

03/16/2023OriginLabHi kuritka,

Please add one sphere to the other sphere graph manually. You can add it by Layer Contents dialog.
1. With one sphere graph active, select menu Graph: Layer Contents to open dialog. On the left panel, select 1st matrix object of the other sphere and add it to the right panel.
2. Also add C(Z1)”Hydrogen bonding” column of second sphere as 3D Scatter.
Click OK button to add them to the sphere graph.
3. Double click on the sphere to open the Plot Details dialog. Select the second sphere branch on the left panel. On the Surface tab, enable Parametric Surface checkbox. Select 2nd and 3rd matrix objects of second sphere for X Matrix and Y Matrix respectively.
Click OK. Now you will see the second sphere on the graph.
4. You can customize the two spheres like color, transparency, etc. in Plot Details dialog.

Thanks,
OriginLab Technical Service

03/16/2023kuritkaGreat App!
Thank you very much.
Wouldn't be possible to put two spheres into one graph, to make comparison between ttwo solutes in the same group of solvents?
I tried do it, but always failed. May be I just don't know what I do wrong.

Best regards,
Ivo