Estimation of Hansen Solubility Parameters (HSP) from Binary DatadPES
Figure C2-1 Two-Dimensional Plot HSP of Solvents and their Solubility Response with PES Polymer
Figure C2-2 Three-Dimensional Plot HSP of Solvents and their Solubility Response with PES Polymer
of the sphere (step B) to each solvent. This value is
called RA and it is placed in Column F. For example, use as condition 1 in Equation 2.8, the three trial HSP values. Use as condition 2 in Equation 2.8 the three HSP values for each solvent tested. E. Examine the solubility data on each row of Table C21, and sort4 them into four baskets or groups. The groups are: GOOD & IN (Column G), BAD & OUT (Column H), BAD & IN (Column I), and GOOD & OUT (Column J). Enter5 a 1 in the column in which each data point belongs, and enter a 0 (or a blank) in the other three columns6. For visual
convenience, one can apply background colors to
Columns G and H (where the solvent is properly positioned relative to the sphere); apply another color background to Columns I and J (where the solvent is not properly positioned relative to the solubility sphere). F. Calculate the numerical error values using Equation C1-3. Pay attention to the type of error for each data point; either BAD & IN (Column I), or GOOD & OUT (Column J)7. For solvents producing a ducing a BAD & IN response (with a 1 being in column I), enter the formula in Column K8.
Spreadsheets make this sorting based on comparative values trivial.
The entry should be by calculation of the spreadsheet, and not a manual entry which cannot change as the optimization proceeds. 6 In every row of Table C2-1 (for every solvent), there must be only one of columns G through J in which a value of 1 has been entered. The other columns must have entries of 0, or be blank. 5
572
For those solvents correctly positioned GOOD & IN or BAD &
OUT the errors are zero. The reason for being particular about the values placed in columns K and L is that the errors stated in Equation C1-3 are taken to be positive values in every case. 7 8
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