Appendix

| C2 |

Estimation of Hansen Solubility Parameters

(HSP) from Binary DatadPES
This appendix builds on the techniques described
in Appendix C1. Published data of compatibility
between PES polymer and many solvents are the
feedstock for use of an optimization technique. The
outcome is not only numerical values of solubility
parameters for the polymer, but can be an understanding of the vulnerability of the integrity of those
values.

B. ESTIMATION OF HSP USING

BINARY DATAdPOLYETHERSULFONE
POLYMER (PES)
The optimization procedure1 is simple, and can be
described as follows:
A. In a spreadsheet, create columns A and B2 following

A. EXAMPLE DATA
FOR PARAMETER
EVALUATION
Note in the experimental data within Table C2-1A that 41
solvents were tested for compatibility with polyethersulfone (PES) polymer. The solvents are noted in
column A; results of the solubility tests are noted in column
B for each solvent in column A.
Of these 41 solvents, the polymer is only soluble in ve.
They are noted in boldface type.
Figures C2-1 (two-dimensional plots with the dispersion HSP not plotted) and C2-2 (three-dimensional plot)
are made using the solvent/polymer test data in Table
C2-1.
The symbols in dark green within both Figures C2-1 and
C2-2 are those ve data points in which the PES polymer
dissolved in the test solvent. Compare either gure to
Figure 2.42, and recognize the complexity of real-world
data and that the optimization can't often be done by
visual inspection of plots, and why instead tabulated
results are analyzed by a spreadsheet or a programmed
optimization routine.

Table C2-1. These are the identications of the

individual solvents tested, and the solubilities of PES
polymer in each solvent. The outcomes are taken to be
binary: 1 for solubility, 0 for insolubility.
B. Choose trial values of the ddisperse, dpolar, dhydrogen bonding,
and RO parameters for the soil/polymer/solventdPES
polymer in this case. Usually this choice is not critical to
the outcomedbut occasionally it can be very much so.
As noted in Appendix C1, useful starting values can be
15, 5, 5, and 5 MPa respectively3.
C. For each solvent (a row of the spreadsheet) look up in
Table A1-5, or in the reference noted in endnote A, the
associated ddisperse, dpolar, dhydrogen bonding values. Put
them in columns C, D, and E, respectively.
D. For each solvent, apply Equation 2.8 to calculate the
distance in three-dimensional solubility parameter
space from the trial value of the location of the center
1
Dr. Charles Hansen developed a computer program called SPHERE which
does this optimization using programmed routines rather than optimization
functions in a spreadsheet. It is the author's belief from evaluation of various
cases, and study of the methodology, that both SPHERE and the spreadsheet
optimization functions provide essentially identical results. Certainly, the
same desirability and error functions are used.
2
These are the columns in Table C2-1, which may be labeled otherwise
in the spreadsheet one creates.
3
These trial values were chosen because they are integer median values
of all 210 cleaning solvents listed in the database of Appendix A1, and
they were successfully used in Appendix C4.

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