
                                                                 

                        
              CO-SOLVE-IT!


              USING HANSEN PARAMETERS TO PREDICT
              RESIN SOLUBILITY. A COMPUTER
              APPLICATION.

              By: Michael Law










































                                                                
                                                                 

   
                                                                 

        
                                                                 

             
Technical information and/or assistance contained herein
or provided in conjunction with this correspondence, are      
furnished without charge or obligation, and are given and        
accepted at recipient's sole risk. Donations and suggestions     
to encourage future development are gladly accepted.             
Reasonable efforts were made to verify this information.         
However, as conditions of user are beyond my control, I          
make no representation about and I am not responsible or         
liable for the accuracy or reliability of such data,             
the results obtained therefrom or the toxicological effects      
of the material(s) described in this correspondence and          
computer program.                                                
NO WARRANTIES, EXPRESSED OR IMPLIED, INCLUDING BUT               
NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY OR              
FITNESS FOR PARTICULAR PURPOSE, ARE MADE HEREIN OR BY            
THE PRODUCT PROVIDED.                                            

    


















                                                                 

            
Copyright (c) 1993 Michael P. Law - PRESS ANY KEY TO GO ON       

                                                                 
                                                                 



             
                           CONTENTS

                                                   PAGE NUMBER
COVER SHEET
DISCLAIMER

INTRODUCTION TO CO-SOLVE-IT!, CO-RESIN, CO-RADII          1-2   
AND CO-EVAP.                                          

GENERAL REQUIREMENTS FOR SOLVENCY & DISCUSSION OF         3-10
HANSEN SOLUBILITY THEORY  

RADIUS OF INTERACTION                                     11-12

AN EXAMPLE - MELAMINE RESIN                               13-15

METHOD USED IN CO-RADII                                   16-23

METHOD USED IN CO-RESIN                                   24-26

GETTING STARTED & RUNNING THE PROGRAM                     27-34

GRAPH INTERPRETATION IN CO-SOLVE-IT!                      35-36

AN EXAMPLE - REMOVING A HYDROCARBON SOIL                  36-37

AN EXAMPLE - URETHANE CLEANER                             38-39

AN EXAMPLE - SOLVENT SYNERGY                              40-48

AN EXAMPLE - HYPOTHETICAL LACQUER                         49-63

CO-RESIN'S MAIN MENU & HELP FILE                          64-75

CO-RADII'S MAIN MENU & HELP FILE                          76-81  

                           
ALPHABETICAL LISTS OF SOLVENTS, RESINS, PIGMENTS 
& SURFACTANT                                             81-115

REFERENCES                                                116

ACKNOWLEDGEMENTS                                          117













USING HANSEN SOLUBILITY PARAMETERS TO SELECT SOLVENT AND SOLVENT
REPLACEMENT BLENDS FOR COATINGS AND INKS


CO-SOLVE-IT! is one of three computer applications, which when
completed, should provide useful information for formulators. The
first program is called CO-SOLVE-IT!. CO-SOLVE-IT! uses Hansen
solubility theory to determine whether or not a resin (whose
Hansen parameters are known) will dissolve in a given solvent or
solvent blend.

A second program is comprised of two subprograms: (CO-RESIN
 & CO-RADII). These programs are used to approximate the Hansen
parameters and the radius of interaction for a resin whose
properties are unknown. CO-RESIN and CO-RADII both require some
experimental information. In these programs the solubility of a
resin, under the influence of a carefully chosen set of potential
solvents, is either measured or observed. Once chosen, these
programs calculate the Hansen parameters of the resin and
approximate the radius of interaction. Once the required
information is entered by the user, CO-RESIN & CO-RADII perform a
variety of mathematical and statistical calculations to determine
the Hansen parameters and the radius of interaction for a resin.
The program (CO-RESIN) determines the swell of a resin under the
influence of a number of solvents. This method approximates the
intrinsic viscosity of a resin and a solvent in a dilute
solution. Solution viscosity is measured at a given temperature
for each resin solvent mix. The user must enter the solvent's
viscosity at 25 degrees Celsius and also the mixing temperature.
(the solvent initial viscosity is approximated at the mixing
temperature).
Both of these methods quantify a resin's properties for later use
in CO-SOLVE-IT. Once a resin's Hansen parameters are known, the
resin can be added to the CO-SOLVE-IT! database and then be used
in solvent replacement calculations.

The third program (CO-EVAP) will, when finished, match solvent or
solvent blend evaporation rates. This program is intended to
estimate phase equilibria for systems for which no data exists. 
It will, in its first release, be used for the following systems:
non-ionic, solvent, and aqueous-solvent systems. This is a
difficult undertaking and the precise methods to be adopted will
be a function of my improving computer programming skills rather
than one of physical understanding. For the time being, I am
going to experiment with a variety of methods and pick the method
that will yield reasonable results and is manageable in terms of
programming difficulty. 
                            







All three modules, when used together, should suggest possible
solvent replacements and starting point formulations. The ability
to survey a number of formulations and solvent systems, before
doing any experimental work, should be of value to the
formulator. As with all computer simulations, or even bench top
experiments, certain simplifications and assumptions must be
made. Hansen theory is at least 85% correct in predicting whether
or not a resin will be soluble in a given solvent. The other
programs are more complex. To what extent theory will agree with
experiment is unknown, and interpretation is left up to the user.


THE PROGRAM "CO-SOLVE-IT"


This computer simulation is based on the work of Burrell and
Hansen and attempts to predict resin-solvent solubilities. 
For the benefit of the curious, a brief outline of solubility
theory is included. If you find this discussion tiresome, that's
OK! "Co-Solve-it" is very easy to use, and the results are fairly
easy to interpret. The program is menu driven and a brief 'HELP"
file is included. It is important that the files, solvents and
resin names be entered and spelled correctly.(CASE INDEPENDENCE
is one small convenience provided to the user). The program in
its present form, is not very forgiving of spelling and type
errors. "CO-SOLVE-IT" does not offer pull down menus and
sophisticated input screens. It also does not have powerful
search capabilities and file indexing, that would be very useful
for this type of program, considering the amount of information
processed.
Despite these obvious inconveniences, this program can produce
useful information with fairly good predictions in such areas as:
coatings formulations, coatings stripper formulations, de-
greasing solvents, and general coatings and cleaners work. A
number of large corporations use programs of this type to assist
them with solvent selections and replacement blends. This is
shareware program, and in the spirit of shareware, may be copied
and distributed in its original form. I hope that you will find
this program of some value, and use it as a tool to stimulate the
creative process. I will try to update and improve this product
to provide you with a more civilized and accurate tool. I also
welcome suggestions or criticism, especially with regard to
accuracy and function.  








GENERAL REQUIREMENTS FOR SOLVENCY

Polymer - Solvent interaction: Whether or not a solvent is a
"true solvent" or diluent depends on the polymer or resin and is
not an independent property of the solvent. When a solid polymer
or resin is mixed with a liquid, three results are possible:
If the attraction between the liquid and the solid's molecules is
less than the attraction of the solid's molecules for each other,
then the liquid will only serve to separate, as in the case of a
diluent. If this mixture is agitated, a suspension of the solid
material will occur. In all probability, over time, this mixture
will settle out. The second possibility is when the liquid's
attractive forces are greater than the solid's inter-molecular
forces, the solvent will then enter the solid and break away the
solid's molecules. The solid will then go into solution. The
third possibility is that the solvent will react with the solid.
If this happens, the reaction products will behave according to
the first or second case.(14)


HANSEN SOLUBILITY THEORY


In general, theories of solubility present complex relationships
involving molecular energy, thermal energy and potential energy. 

(Gibbs free energy, enthalpy, chemical potential, and
entropy.)(2)

Substances with like solubility parameters will co-mingle. The
basic assumption is that there is a relation between cohesive
energy or potential energy per unit volume and solubility. Solids
and liquids have strong attractive forces relative to their vapor
phase (large negative potential energy). This potential energy is
called the molar cohesive energy. The molar cohesive energy is
measured relative to the same material, at the same temperature,
in its vapor phase. For a substance to dissolve, the Gibbs energy
of mixing at constant pressure must be negative. This can occur
if the enthalpy is negative or is less positive than the entropy.

The three parameter model (HANSEN) makes the simplifying
assumption that the total solubility parameter is constant, with
regard to temperature and pressure. Also, the relative strength
of the three types of forces, assumed to be additive (as
represented by the three parameters) will determine whether or
not a resin will dissolve in a given solvent or solvent blend.




THE 3-D HANSEN SOLUBILITY MODEL


The 3-D solubility model is a semi-empirical description of
solvent-solvent or solvent-polymer solubility. This model allows
for quantitative comparisons to be made between solvents or
solvent blends in order to determine whether or not a polymer
will dissolve. For any solvent, or polymer, it is assumed that
physical properties can be reduced to three parameters, (each
describing a specific interaction), and in one case, combined
interactions. This model allows for interesting descriptions both
numerical and in graphics, to be made with predictive value.(2)

The solubility parameter can be considered as a vector comprised
of hydrogen bonding, polar and dispersion components. Solvents
and plasticizer can be located as points in a 3-D system.(1)
 
Each of the components will be described in the discussion below
and an effort will be made to provide theoretical justification
for each of the three-components.

When molecules are interacting, three primary forces are
involved: dispersion or London forces that come about because of
the wobble between the nucleus of an atom and its electron cloud.
All molecules have dispersion interaction. The second forces are 
polar interactions, either Debye (induced dipole) or Keesom
(dipole-dipole), which both result from charge asymmetry. The
third force is hydrogen bonding that comes from specific chemical
interactions (alcohols, ethers, ketones).(2)

Let us now take each of these interactions in order and see how
they contribute to the total cohesive energy that binds molecules
together and makes different states of matter possible.
When thinking about solubility parameters, it is also important
to keep in mind that this is a concept that attempts to relate
the macroscopic world of our everyday experiences to the
microscopic world of atoms, molecules and forces. In much the
same way, and with the same theoretical justification, as does
the ideal gas law attempt to connect molecular events to gross
measurements of pressure, volume, and temperature. In fact, even
the evolution of the solubility parameter is similar to the way
the ideal gas law is parameterized and modified to account for
the behavior of real gases. (van der Waals' equation of state)
The conceptual process is the same; what is different is the
state of matter described. The solubility parameter is primarily
concerned with liquid interactions.




One reason this parameterized semi-empirical description of
matter lends itself so well to the computer is that, unlike
strict thermodynamic considerations, this concept is easy to
implement, because numbers are counted and because numbers are
compared. Also, parameterized functions that would be very
difficult to solve by analytic methods can be approximated using
numerical methods. The basic idea is to link these solubility
parameters to some physical reality and then try to find if they
have some predictive value.
Well, back to the discussion and summary of the interactive
forces involved. The first interaction, (dispersion or London) is
common to all molecules and is the only interaction possible for
saturated hydrocarbons. This force is induced-dipole/induced-
dipole. Pairs of molecules approach each other and interact,
distorting their electron cloud and causing an asymmetric
arrangement, which results in intermolecular attraction. The
rotation of these molecules continue and they tend to follow one
another as instantaneous forces pull them along. These are non-
polar interactions. However, nonpolar molecules can in the
presence of an electric field, acquire a temporary dipole. In
fact, the constant relating the electric field strength to the
dipole moment is the polarizability constant. This constant is
also related to the refractive index, by the Lorentz-Lorenz
equation.
The dispersion energy depends on both the polarizability and the
first ionization potential of each molecule. Approximations can
be calculated as:(2)   




<<EQUATION WOULD BE HERE>> 


With dipole-dipole or Keesom forces, molecules tend to align
themselves in energy favorable ways. These molecules have
permanent dipole moments and this alignment process is randomized
by thermal agitation that degrades the orientation process.(2)  

Dipole-Induced Dipole or Debye interactions are caused by the
polarization of either polar or non-polar molecules in the
proximity of a polar molecule. Thermal motion is not very
important as the induced dipoles persist. (2) 














In CO-RESIN and CO-RADII, the object is to find the Hansen
parameters for a resin for which these parameters are unknown.
This is done by finding the coordinates and radius of interaction
and by fitting a set of solvents known to solubilize the resin of
interest. This solubility sphere is described by a "cloud" of
solvent points that maps out this "solubility sphere". Once the
coordinate points are determined and a radius has been
calculated, this data can be put back in CO-SOLVE-IT!, for
possible reformulation work with other solvents. Most of the
resins in the resins database (RESINS.IN) are from published
sources (listed in the references at the end of this
documentation). Both CO-RESIN and CO-RADII use powerful
techniques to link observations to solvent properties (modified
moments routine and nonlinear regression analysis). The method
used for performing swell calculations in CO-RESIN requires the
use of another shareware program called NONLIN (tm). CO-RADII
uses a simpler routine to accomplish the same goal, but with less
feedback provided to the user. NONLIN (tm) has many other uses,
other than the use I have given it. On Phillip Sherrod's (author
of NONLIN (tm)) distribution disk, there are many examples of
other potential uses. Please obtain a registered copy from
Phillip Sherrod. His program is very elegant and powerful and I
do not have the skills to improve upon his work; he also has a
graphing program that is very high quality. Phillip's products
exceed many commercial programs of this type in capability.
Again, if you want to use CO-RESIN for swell calculations, you
need NONLIN (tm). This program can be downloaded from bulletin
boards or obtained from Phillip Sherrod, whose address is
provided with this doc's references. 
Perhaps the best way to show how CO-SOLVE-IT! performs a
calculation is by example. The table and graph on the next two
pages are simulated runs for a melamine type resin with a single
solvent system. Blends could also have been run to optimize the
results below.  Note that all values are calculated and based on
published sources. This is a simulation and actual experiments
were not done. The solvents chosen are (with abbreviations):


All this arithmetic does not, in and of itself, prove that these
relationships have any real physical meaning. What makes this
type of calculation process meaningful is that observations,
(albeit) somewhat subjective, are linked to the factor W. Hansen
used a visual scale with a range of 6, to describe resin
solubility.  










Hansen's Scale for 0.5 g solute is mixed in 5 ml solvent.
Solutions were evaluated repeatedly until an agreed value was
found:(1)

1-Soluble
2-Almost soluble
3-Strongly swollen, slight solubility
4-Swollen
5-Little swelling
6-No visible effect

In the case of highly viscous samples, heat was applied but
judgment was made at room temperature.

In CO-Radii, a 10 point scale is used, for reasons of scaling,
also, the opposite end of the scale is used for maximum solvent
power. Solution make-up is done using the same method Hansen
used. 




In CO-Radii:

10-Extremely Soluble, quickly goes in solution, like sugar in
water.
9-Very soluble, not much agitation required. No observed
particles in suspension, clear miscible solution.
8-Soluble but slow to go into solution. Overnight on a rotary
mixer: ASTM D3132-84 (reapproved 1990)
7-Most of the material goes into solution. Solution may have a
slight haze.
6-Strongly swollen, slight solubility.
5-Swollen
4-Some swelling
3-softening
2-Little visible effect
1-No visible effect

Clearly, CO-Radii is used to rough out some numbers. How well it
does depends on the selection of solvents. Diverse solvents that
have strong predominating effects along one of the 3-Hansen axis
is what you look for in the test set. The solvents suggested in
the program CO-Radii should do the job for many resins. For now,
and until I am comfortable with this selection and this method
(if it holds up).








The list is provided in the help file. As for the radius, in this
case, a family of quadratic surfaces from the center, (resin
hansen coordinates) are drawn. 
The radius of interaction is the radius of the solubility
envelope formed by and including all the solvents in this
envelope. This envelope is then approximated by a "sphere of
solubility". This is done by adjusting the "fit" and calculating
the length of the radius vector. After the resin's Hansen
parameters and radius of interaction are determined, these values
can be entered in "resins.in" (or one of your creation) and CO-
SOLVE-IT! for blend calculations or just simple one-to-one
replacements. 

Some limitations of polymer solubility determination:

1. Strictly valid at the original temperature and the original
concentration.

2. During solvent evaporation, i.e., from a coating, there is a 
decrease in film temperature, which may cause the resin to become
incompatible and stratify.

3. In addition, as with CO-SOLVE-IT!. The entropy is assumed to
be constant and clearly this is not so, and depends on the molar
volume of the solvent, and other factors. Also, it is assumed
that hydrogen-bond sites act at same time as proton donors and
acceptors, some molecules can only act as one or the other.


CO-RESIN

Co-RESIN is a little more elaborate. This program also attempts
to rough it out, but it also relates solvent properties to
intrinsic viscosity of resins in dilute solutions. With a
judicious selection of solvents, (the W factor in this case is
the observed solution viscosity), a parameterized function can be
2found to predict solution viscosities for other solvents and
solvent blends. In CO-RESIN the basic idea is to take a small
number (but statistically significant) group of solvents, whose
Hansen parameters are known, and use this information to predict
resin swell for solvents and solvent blends for which test
information is not on hand. After all the required information is
entered, CO-RESIN approximates the resin's hansen parameters and
the radius of interaction, using a method similar to that of CO-
RADII. If a fit cannot be found, CO-RESIN suggests adding or
deleting a solvent. At the same time CO-RESIN writes several
ascii files to disk called: "RADCALC.NLR & RAD.DAT".
NOTE: BEFORE MAKING A RUN, FIRST PICK (OPTION X) WHICH CLEARS THE
OLD FILES AND MAKES THESE FILES READY FOR NEW DATA.







The file that CO-RESIN writes to disk is in the form:

Dependent Variable = (parameterized) Independent Variables.

OPTION Y executes NONLIN (tm): this program has its own report
generation and graphics capabilities. Check nonlin (tm)
documentation for an explanation of the report generated.

After running NONLIN (tm) and if the parameterized function
converges, reports are generated. The user must decide if this
report has satisfactory validity. The object is to determine a
number of 'k' values for substitution back into CO-RESIN for the
purposes of investigating other solvent systems.
It is possible that this fit will not converge or will produce
low correlations between dependent and independent variables. If
this happens try some other combination of solvent(s).
The hope is that "relative swell" parameters will provide a way
to survey a large number of solvents and solvent blends without
having to run every sample in the laboratory. Once some likely
candidates are found by simulation, some experimentation can be
done to adjust and optimize these solvent(s). The use of swell is
only one type of observable that could have been chosen. Any
observable for which solvent interactions play an important role
could have been chosen. Weight loss from test panels (under
controlled conditions) immersed in a solvent where the solvent
plays a predominant role is another possible observable. Swell
measurements for elastomers is another example. Even hardness
measurements for a coating can be the observable in question.



How is this observable related to the Hansen "sphere of
solubility"?  The equation of a sphere is:(11)



If the sphere is centered at the origin, (R is a constant). If
the center is not at the origin then:


where k is a constant.

If the sphere is in Hansen space then:















then, ka, kb, kc are located at the center of the sphere. These
are the models parameters. The constant (k or r) becomes the
dependent variable "s" and a system of equations is related to
the parameterized independent variables. In a physical system,
"s" is an observable that can be measured. (as mentioned
previously).  
This system is a constrained system, in which you want the data
to fit the model, by adjusting the model to find the best
possible fit for the data. The underlying assumption is that the
observable must be a function of solvent effect, If the
observable is only partially a function of solvent effect, then
the model is weakened and may give erroneous results. Remember
that Hansen solubility theory already makes some simplifications,
especially with regard to the question of the entropy of mixing.
Careful choice for your observable is crucial if useful
information is to be gained from computer simulations of this
type. Functions of this class are known as: "merit functions". If
the model is not appropriate, as determined by comparing
"goodness of fit statistics", against some statistical standard,
then you may need to adjust the model or your choice of the
observable.



Also, you need a way to test whether or not the merit function is
unimodal. Can there be a better fit in the neighborhood of the
fit found? In addition to "Hansen space", we need to concern our
search with "parameter space" too!
Remember, think about your results and ask yourself: are these
numbers reasonable? 
In CO-RESIN and CO-RADII a function of this type depends
nonlinearly on a set of unknown parameters. Because of nonlinear
dependence, the solution is approached by using an iterative
method in which the parameters are given some initial values; by
using an adaptive method, parameters are minimized and tested
against some limit for convergence. The function is also tested.
it is possible and often desirable, to have both function and
parameter convergence. The nonlinear least squares method used in
CO-RADII, and one  section of CO-RESIN is a modified version of
the 'Marquardt-Levenburg method.' In this approach a steepest
descent method is used, when far from the minimum, and switches
to an inverse Hessian method as the minimum is approached. This
method switches back and forth as the parameters wander, and they
often do, in a flat valley, or if the topology is complicated.
 






GETTING STARTED

The first thing a user should do is make a backup copy of this
program. If you are using a portable computer without a hard
drive, you should make a working disk for each program. Those
with a hard drive should create a convenient sub-directory and
allow a couple of megs for the program and file creation. As
there are many possible disk formats and capacities, I will
describe the files that must be made available for each program
to function:

CO-SOLVE-IT!            CO-RADII           CO-RESIN.EXE

1. CO-SOLUT.EXE         1. CO-RADII.EXE    1. CO-RESIN.EXE
2. SOLVENTS.IN          2. RADII.IN        2. SOLVENTS.IN 
3. RESINS.IN            3. GRAPHICS.COM    3. RESINS.IN     
4. PIGMENTS.IN                             4. GRAPHICS.COM
5. RUN.BAT (optional) 
6. GRAPHICS.COM copied from your version of MS-DOS


For floppy systems, use 3 floppy disks and leave plenty of space
available on each disk for files created by these programs, or
for reports saved to disk.

For Hard drive systems, copy all the files into a subdirectory
from the distribution disk(s).

i.e. A:>COPY *.* C:\COSOLVE  (subdirectory is cosolve)

Minimum system requirements:

IBM PC,XT,AT,PS2 or compatible.
512 K ram - 640 K ram is desirable.
A graphics card: CGA,HERC,EGA,VGA
Printer (attached to lpt1 'prn') other ports are currently not
supported. You can however, use the DOS copy command to print
report files to other ports.

Once a working disk is formatted and the files copied, to start
CO-SOLVE-IT, you can, from the DOS prompt, type RUN and press
Return.

WINDOWS USERS: This program can be run as a DOS application and
started in the customary way other DOS programs are run.












RUNNING THE PROGRAM

The program starts with a graphics display followed by a notice
and disclaimer. I suggest that you read this one time so that you
understand the terms and conditions set forth.

The first files called for, (depending upon which program is
run), are the input files. Theses file names appear in
parentheses and tell you what files are to be entered and are NOT
defaulted. Type in only the files names not the parentheses() Be
sure to type in the file extensions too!. This will make it
possible for you, as you get more experienced, to use data files
of your own creation.

Once these data files are entered, you will see the main menu. If
you make an error typing in the names of the data files, you will
be asked to try again. So, if you have gotten to the MAIN MENU
you are on track.

A word about data file location. The program automatically looks
to the disk or directory containing the executable files. Data
files are usually located in the same directory. You can,
however, set a path, when entering the data files. For example,
let's say that  your program disk is A and your data files are to
be located on disk B, or in some subdirectory. You, then, enter a
path, when asked to enter the data files: i.e.- B:SOLVENTS.IN
(press Return). The program now knows where to find data.

Once you have gotten to the main menu, you are ready to go.
Notice the Help Option. Some instructions are there, (brief
explanations), as well as the most complete lists of solvents,
resins and pigments. These lists are broken down into categories,
some by chemical group, others by probable use. None of the lists
are currently in alphabetical order. Once you select a list, you
must go through the complete listing, before going back to the
main menu.

Because of the way the program is structured, when you complete
an operation, you will be returned to the MAIN MENU. 

PLEASE NOTE: at the start of a session use OPTION X to clear old
information out of the report files (REPORT.TXT). 

The rest of this documentation will be in the form of a
description of every menu item. Some examples for reformations
will be provided as well as a complete list of solvents and
resins in alphabetical order at the end of this documentation.


 
                                                                 

            
CO-SOLVE-IT!  /  MAIN MENU                                   
                                                                 

             
R.....Get a Resin or a Pigment, eg. Cymel 300
                
S.....Select Solvent(s) or Solvent(s),                           

                                                                
V.....View results on SCREEN
                                 
Z.....Print to a File -do to keep  
 
P.....Print LAST run to the Printer.
                         
B.....Execute a BATCH print job.
                             
G.....Graph Solubility Maps                                  
                                                                 

             
*     UTILITIES MENU     *                                   
                                                                 

             
C.....Create a new SOLVENTS file
                             
A.....Add data to the SOLVENTS file.
                          
L.....List the solvent file to the screen
                    
F.....Find a SOLVENT
                                
H.....'HELP MENU' & (Resin & Solvent Lists)
                  
W.....Where the resins' list is found.
                       
X.....Erase the log file: report.txt
                         
E.....Execute Polymer/Solvents potpourri
                     
D.....DO CO-RESIN properties calculator
                
Q.....Quit the program
                                       
Your selection?                                              










PROGRAM STRUCTURE

This program is structured to be menu driven. The main menu is
where you are returned, after some function is completed. If
errors occur, or you make an entry error, you should be returned
to this menu. Some attempt has been made to detect errors and to
recover from them. However, the detection of errors is still, and
probably always will be, evolving and changing with the program. 
The very worst thing that can happen is that an error is trapped,
and the program, for many reasons, has recovered, but has not re-
initialized itself. If you should encounter a problem, press
"CTRL BREAK" or "CTRL C", and break out. You may lose a run, but
it was probably lost already. Under normal circumstances, it is
always better  to exit gracefully; but sometimes you do not have
that option, you cannot hurt the program by breaking out to DOS.
If you break out while the program is in a graphics mode and (at
the dos prompt), characters are big or different, and if the
screen scrolls funny and slow, you may need to go to your DOS
directory and type MODE 80 to set a text mode again -  However,
if you do not do this, other programs may not set their screens
up right. Better to go to DOS and perform MODE 80 (press Return).
Again, none of the programs will be damaged. To exit (normally),
press Q and then Return. All selections are made by entering the
letter corresponding to the menu item you wish to select.
 
1. In CO-SOLVE-IT!, to start a run, first select OPTION X, to
clear the old files out.
2. Select OPTION R - get a resin, enter the resin name exactly
and press Return. The program will report back that the resin
data is in memory.
3. Next select OPTION S - select solvent(s). Enter the number of
solvents in your blend. Enter the solvent's name twice, the first
name appearing as a label in the graphs. Next, (for the search
2routine) SPELL EXACTLY the solvent's name.  Searches are
sequential and no wild cards or other conveniences are included
with the solvent names in this version of the program. By the
way, case is not important, i.e. MEK or mek or Mek ect. are
permitted and the same goes for resins, pigments, ect.












                                                                 

             
INSTRUCTIONS & HELP MENU                                
                                                                 
                                                                  
   

             
1. General Instructions.     2. Common Solvents                  

    
                                                                 

             
3. Common Coating Resin.     4. More Solvents & Ink Resins       

    
                                                                 

             
5. Alkanes, Aromatics  Ethers & Ketones                          

    
                                                                 

             
6. Refrigerants & Liquid Mixtures (oil ect.)                     

    
                                                                 

             
7. Halohydrocarbons, Esters, Nitrogen & Sulfur Compounds         

    
                                                                 

             
8. Alcohols, E-Series Glycol Ether Trade Names, Acids -          

   Phenols & Polyhydric Alcohols.                                

    
                                                                 

             
9. Resin List complete as of: 06/06/93                           

    
                                                                 

             
10. Pigments    11. Surfactant (lipophilic)                      

   
                                                                 

             
12. Exit - Main Menu.                                            

    
                                                                 

             
Your selection?(1-12)                                            

             
                                                                 

             


(OPTION 1 - OF THE INSTRUCTIONS AND HELP FILE) 


INSTRUCTIONS & HELP FILE                                     
------------------------                                   
                                                                 

            
(USE OPTION X - TO START A NEW SESSION)                          

(YOU CAN APPEND REPORTS - IF YOU DO NOT USE - OPTION X)          

                                                                 

                
Enter the key corresponding to the command you wish to           

select. 
First, select the resin of interest. Enter the abbreviation      

for the resin EXACTLY as spelled in the documentation.           

                                            
Next, select the number of solvent(s) in your blend (up to 10),
and PRESS ENTER.
Now, enter the solvent(s). Each solvent is entered TWICE: the 1st

time is for appearance sake. You  want the 1st entry name to be 
meaningful to you (customary usage). The second entry is the
solvent spelled out EXACTLY as it appears in the doc's.  
Now, enter the VOLUME fraction ('1.0' if one pure solvent); if   

(for example: you have a 75/25 blend of PTB/DPM), then the volume

fraction for PTB would be: 0.75 and DPM would be: 0.25.  
When you have entered all of the solvents, press return to end
this process. At this point, the radius for the solvent(s) is
calculated and compared with that of the resin's radius. If the
radius of the solvent(s) is less than that of the resin's, then
the solvent(s) should solubilize the resin. Hansen solubility
theory is approx. 85% accurate in predicting solubility. The
smaller the radius of the solvent(s) relative to the resin's
radius, the greater the solvency. 
Next, save the result (option z) and graph (option G) the results


     
Note: before graphing and saving a report, you must first have   

made a run with a resin and solvent(s).                          

                        
Also, to use the program's graphics printing capabilities        

the 'DOS' program 'GRAPHICS.COM' must first have been run.       

(before 'CO-SOLVE-IT' was started)                               

The easy way to do this is to copy 'GRAPHICS.COM' into the same  

same directory or diskette as your program files. The batch file
"RUN.BAT" will then automatically run "GRAPHICS.COM".            

             
                                                                 

                                                                 

 
                  --- MENU KEY ---                               

             
                                                                 

R - Select one resin that you want to test for solubility.
    Or test 1 pigment in a solvent or solvent blend.             

                        
                                                                 

             
S - Solvent selection: You may enter up to 10 solvents. You      

    enter the solvent's name (abbrev.) exactly as the solvent    

    appears in the documentation. Then enter the solvent         

    VOLUME fraction in the blend (i.e 1, if this is the only     

    solvent or 0.5, if the solvent is 50% - USE VOLUME FRACTIONS)

    The Hansen values are then printed to the screen an is       

    automatically logged to REPORT.TXT.                          

    If more than 1 solvent is to be entered, you repeat the      

    process.                                                     

         
                                                                 

     
V - VIEW results                                                 

         
                                                                 

             
Z - LOG the VIEW : Log to file REPORT.TXT                        

         
                                                                 

             
P - PRINT the VIEW of last run to the printer (lpt1)             

         
                                                                 

             
B - BATCH print the solvent(s), volume fraction and VIEWS        

    to printer attached to lpt1, cumulative REPORT.TXT           

        
                                                                 

                                                      
(Option S)- For the 10 solvents, you may include the pigments,
surfactant and resins that are in the data file "solvents.in".
Keep in mind that this program is mainly concerned with
solvent(s)-resin solubility and does not pretend to do coatings
or inks reformulations. In other words, this is a tool to test
ideas, and has somewhat more reliability than just a guess. Also,
remember that these entries are VOLUME FRACTIONS i.e. .3, .1,.6;
all must add up to 1.0 which is equal to 100% of the total. 

                                      

                                                                 

Note: For the rest of this manual, solvent(s) is to be taken as:
a solvent, solvent blends or mixtures of solvents, resins,
surfactant and pigments, in any combination, found in the data
file "solvents.in".                                     
                                                                 
After selecting a resin and solvent(s). (Option R and Option S).
View the results (Option V). If this run is to be saved, select
(OPTION Z), which saves each run to a text file, "REPORT.TXT".
This file can be printed (OPTION B). Successive runs can be
appended to report.txt, and these runs can be logged one after
another. If you want to clear this file, select (OPTION X).
(OPTION P) prints the last run made.               
                                                                 

(OPTION G) - allows a series of graphs to be displayed and viewed
on the screen or printed to a printer connected to LPT1 (prn). At
present only port 1 is supported. The program will soon be
modified to allow other ports to be selected. In order to print
graphs, the DOS program GRAPHICS.COM must be resident prior to
running CO-SOLVE-IT!. Printer support is found in the DOS file
GRAPHICS.PRO. Consult your DOS manual for an explanation on how
to load your particular print drivers. CO-SOLVE-ITS! graphics
print routine is essentially a screen dump and will not produce a
graphics printout without having first loaded GRAPHICS.COM from
DOS, before running CO-SOLVE-IT!.


OPTION G - GRAPH INTERPRETATION

Graphics can be a useful tool to visualize what is going on.
Unfortunately, programming graphics is relatively difficult. What
I've tried to do represents these concepts as graphics, I admit
that this is an evolutionary process and I have tried many
different approaches. In time, and with user feed back, I'll make
these routines better and allow the user the opportunity to view
the data graphically in a form that is meaningful to him. For
now, what you get is a set of graphs (8). I will try to explain
what was attempted with each graph.
               













1. The first graph is a statistical scatter plot of the Hansen
and Polar axis (y-axis) versus the Hansen Hbond axis (x-axis). If
you run a resin and a solvent, you will get coordinate points for
the solvent you have chosen. This point is plotted and the axis
are autoscaled to the size of your screen. Note that all IBM
graphics cards are supported: CGA, HERC, EGA, VGA. My computer
has a basic VGA card with 256 KB of video ram. CO-SOLVE-IT! will
automatically detect your particular video card and should work
alright. If you cannot get a graphics display, consult your
computer manual and determine whether or not there is a software
driver you can use to get graphics displays.  Any one of the
modes mentioned above will do. The higher the resolution, the
better the graphics will appear. Let me know if your particular
computer system will not produce a graphics display. If you
cannot get graphics or have only a text oriented card, do not
despair, graphs are useful, but the calculations are displayed in
the text mode.

2. Graph 2 is a bar graph and is easy to interpret. It tries to
show which solvent in the blend is more soluble relative to the
resin. The graph autoscales and is a relative comparison between
the resin and solvent(s).

3. The next 3 graphs are solubility maps that print one point:
the coordinates of the solvent(s) versus each Hansen parameter. I
have seen similar published maps with resin data sheets; this is
an attempt to emulate this process. Perhaps, the best use of
these graphs is to overlay a number of them, (manually), and map
a number of solvent systems for a given resin. 

4. The next 3 graphs are single point, (the average coordinates
for a solvent blend), representations in "Hansen Space". Here the
x-y axis are located at the resin in "Hansen space" (translated)
to the resin and a series of concentric ellipses are drawn to
simulate distance from the origin to the end of the "sphere of
solubility". This is similar to the layers in an onion: somewhere
lies the component vector sum of the solvent(s). I have cut the
onion in several planes. The basic idea is to try and visualize
which parameter is the greatest contributor to a resin's
solubility. 





CO-RESIN works in similar ways. However, some of the graphs are
swell vs Hansen parameters. 

CO-RADII uses the statistical scatter plot graph. ( same routine
as is found in the main program of CO-SOLVE-IT!). Here, as before
each individual solvent is plotted. Again, following the graph,
there are two data set analysis screens.

It is very difficult to predict what graphing method is going to
be liked by all. I am here to please, and any suggestions are
welcome.                                                    
                                                                 

                                            




AN EXAMPLE - REMOVING A HYDROCARBON SOIL 


This is an example of how CO-SOLVE-IT! may be used to simulate
solvents for cleaners use. Once done in simulation, blends of
solvents may be tested. In this example, no experimental data are
used; what is depicted is the modeling process. The model only
suggests possible solvents to be tried out, and indicates which
solvent properties are important.
 
In this example, a "hypothetical" hydrocarbon soil is exposed to
a number of different solvents for a given length of time and at
a given temperature. The amount of soil removed is then a
function of solvent properties (Depicted in the graph). An
equation is generated that can be used to predict what solvents
and solvent blends may be the most efficient cleaning agents. On
the next page, is a graph of the polar and hydrogen bonding axis
versus the weight loss of the hydrocarbon soil.  
To control the test conditions, the temperature and the time that
the solvent is exposed to the soil is the same for each solvent.
The graph, on the next page, is a surface plot for a number of
different solvents. The data file was created by CO-SOLVE-IT! and
stored on disk. This data file was then imported into a graphing
program called: PS-PLOT(tm) (now known as PSI-PLOT(tm)). 
 



<< GRAPH & TABLE WOULD BE HERE >>


























 
AN EXAMPLE OF SOLVENT SYNERGY 

In the following example, an epoxy resin (D.E.R 331 DOW (tm)) is
found, in simulation, not to be soluble in either methanol (MEOH)
or xylene. The question then is: can these two solvents in a
blend dissolve this resin? CO-SOLVE-IT! was run for these two
solvents, (below), and does predict: neither solvent alone will
dissolve this resin. Next, other blends of MEOH and XYLENE were
run, a sort of computer simulated ladder study. The results are
summarized in a couple of tables and in graphics. This is a
particularly good example of how simulations can uncover effects
not readily discernable, and with a minimum confidence of 85% or
so.   

    Solvent :MEOH             volume fract. (0.000-1.000)  1 

    Resin/Pigment :D.E.R 331         
    Resin's/Pigment Properties: 
    (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

    H-Bond :6.10   Polar :16.40   Dispersion :15.00
    Radius of Interaction :16.70

 
    Solvent Interaction Radius = 18.239213 
    Resin/Pigment Radius of Interaction = 16.7 

    The resin/pigment D.E.R 331 is NOT soluble in the solvent(s).
    -------------------------------------------------------------

    Solvent :XYLENE           volume fract. (0.000-1.000)  1 
    Resin Solubility Report       Date :19930812
    =======================

    Resin/Pigment :D.E.R 331
 
    Resin's/Pigment Properties: 
    (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

    H-Bond :6.10   Polar :16.40   Dispersion :15.00
    Radius of Interaction :16.70

 
    Solvent Interaction Radius = 16.728763 
    Resin/Pigment Radius of Interaction = 16.7 
   The resin/pigment D.E.R 331 is NOT soluble in the solvent(s).
   ------------------------------------------------------------







   Solvent :MEOH             volume fract. (0.000-1.000)  .1 
   Solvent :XYLENE           volume fract. (0.000-1.000)  .9
 
   Resin Solubility Report       Date :19930812
   =======================


   Resin/Pigment :D.E.R 331

   Resin's/Pigment Properties: 
   (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

   H-Bond :6.10   Polar :16.40   Dispersion :15.00
   Radius of Interaction :16.70

   Solvent(s) Blend Properties

    H-Bond :       Polar :        Dispersion :   R-Radius
    --------       -------        ------------   ------
    5.183          2.168          17.292         14.980112 

   Solvent Interaction Radius = 14.980112 
   Resin/Pigment Radius of Interaction = 16.7 

   The resin/pigment D.E.R 331 IS soluble in the solvent(s).
   -------------------------------------------------------

   Solvent :MEOH             volume fract. (0.000-1.000)  .2 

   Solvent :XYLENE           volume fract. (0.000-1.000)  .8 
   Resin Solubility Report       Date :19930812
   =======================

   Resin/Pigment :D.E.R 331
 
   Resin's/Pigment Properties: 
   (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)
   H-Bond :6.10   Polar :16.40   Dispersion :15.00
   Radius of Interaction :16.70

   Solvent(s) Blend Properties

   H-Bond :       Polar :        Dispersion :   R-Radius
   --------       -------        ------------   ------
   7.266          3.336          16.984         13.703017 

   Solvent Interaction Radius = 13.703017 
   Resin/Pigment Radius of Interaction = 16.7 
   The resin/pigment D.E.R 331 IS soluble in the solvent(s).





  Solvent :MEOH             volume fract. (0.000-1.000)  .3 


  Solvent :XYLENE           volume fract. (0.000-1.000)  .7 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331
  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

   H-Bond :6.10   Polar :16.40   Dispersion :15.00
   Radius of Interaction :16.70

   Solvent(s) Blend Properties

   H-Bond :       Polar :        Dispersion :   R-Radius
   --------       -------        ------------   ------
   9.349          4.504          16.676         12.779152 

   Solvent Interaction Radius = 12.779152 
   Resin/Pigment Radius of Interaction = 16.7 



  The resin/pigment D.E.R 331 IS soluble in the solvent(s).
  -------------------------------------------------------

  Solvent :MEOH             volume fract. (0.000-1.000)  .4 

  Solvent :XYLENE           volume fract. (0.000-1.000)  .6 
  Resin Solubility Report       Date :19930812
  =======================
  Resin/Pigment :D.E.R 331
  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

  H-Bond :6.10   Polar :16.40   Dispersion :15.00
  Radius of Interaction :16.70
  Solvent(s) Blend Properties

  H-Bond :       Polar :        Dispersion :   R-Radius
  --------       -------        ------------   ------
  11.432         5.672          16.368         12.288446 

  Solvent Interaction Radius = 12.288446 
  Resin/Pigment Radius of Interaction = 16.7 

  The resin/pigment D.E.R 331 IS soluble in the solvent(s).
  -------------------------------------------------------





  Solvent :MEOH             volume fract. (0.000-1.000)  .45 

  Solvent :XYLENE           volume fract. (0.000-1.000)  .55 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331
  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

   H-Bond :6.10   Polar :16.40   Dispersion :15.00
   Radius of Interaction :16.70

   Solvent(s) Blend Properties

   H-Bond :       Polar :        Dispersion :   R-Radius
   --------       -------        ------------   ------
   12.4735        6.256          16.214         12.223642 

   Solvent Interaction Radius = 12.223642 
   Resin/Pigment Radius of Interaction = 16.7 

   The resin/pigment D.E.R 331 IS soluble in the solvent(s).
   -------------------------------------------------------

  Solvent :MEOH             volume fract. (0.000-1.000)  .5 

  Solvent :XYLENE           volume fract. (0.000-1.000)  .5 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331

  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

  H-Bond :6.10   Polar :16.40   Dispersion :15.00
  Radius of Interaction :16.70

  Solvent(s) Blend Properties

  H-Bond :       Polar :        Dispersion :   R-Radius
  --------       -------        ------------   ------
  13.515         6.84           16.06          12.282924 

                   Solvent Interaction Radius = 12.282924 
                   Resin/Pigment Radius of Interaction = 16.7 

  The resin/pigment D.E.R 331 IS soluble in the solvent(s).






  Solvent :MEOH             volume fract. (0.000-1.000)  .6 

  Solvent :XYLENE           volume fract. (0.000-1.000)  .4 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331
         
  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

  H-Bond :6.10   Polar :16.40   Dispersion :15.00
  Radius of Interaction :16.70

  Solvent(s) Blend Properties
  H-Bond :       Polar :        Dispersion :   R-Radius
  --------       -------        ------------   ------
  15.598         8.008          15.752         12.763216 

  Solvent Interaction Radius = 12.763216 
  Resin/Pigment Radius of Interaction = 16.7 
  The resin/pigment D.E.R 331 IS soluble in the solvent(s).


  Solvent :MEOH             volume fract. (0.000-1.000)  .7 
  Solvent :XYLENE           volume fract. (0.000-1.000)  .3 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331
      
  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)
  H-Bond :6.10   Polar :16.40   Dispersion :15.00
  Radius of Interaction :16.70

  Solvent(s) Blend Properties

  H-Bond :       Polar :        Dispersion :   R-Radius
  --------       -------        ------------   ------
  17.681         9.176          15.444         13.678241 

  Solvent Interaction Radius = 13.678241 
  Resin/Pigment Radius of Interaction = 16.7 

 The resin/pigment D.E.R 331 IS soluble in the solvent(s).
  -------------------------------------------------------








  Solvent :MEOH             volume fract. (0.000-1.000)  .8 

  Solvent :XYLENE           volume fract. (0.000-1.000)  .2 
  Resin Solubility Report       Date :19930812
  =======================

  Resin/Pigment :D.E.R 331 

  Resin's/Pigment Properties: 
  (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

  H-Bond :6.10   Polar :16.40   Dispersion :15.00
  Radius of Interaction :16.70

  Solvent(s) Blend Properties

  H-Bond :       Polar :        Dispersion :   R-Radius
  --------       -------        ------------   ------
  19.764         10.344         15.136         14.948378 

  Solvent Interaction Radius = 14.948378 
  Resin/Pigment Radius of Interaction = 16.7 
 The resin/pigment D.E.R 331 IS soluble in the solvent(s).
 -------------------------------------------------------

 Solvent :MEOH             volume fract. (0.000-1.000)  .9 

 Solvent :XYLENE           volume fract. (0.000-1.000)  .1 
 Resin Solubility Report       Date :19930812
 =======================

 Resin/Pigment :D.E.R 331

 Resin's/Pigment Properties: 
 (Hansen H-Bond, Polar, Dispersion, Radius of Interaction)

 H-Bond :6.10   Polar :16.40   Dispersion :15.00
 Radius of Interaction :16.70

 Solvent(s) Blend Properties

 H-Bond :       Polar :        Dispersion :   R-Radius
 --------       -------        ------------   ------
 21.847         11.512         14.828         16.491782 

 Solvent Interaction Radius = 16.491782 
 Resin/Pigment Radius of Interaction = 16.7 

 The resin/pigment D.E.R 331 IS soluble in the solvent(s).







TABLE DEPICTS THE SOLVENT'S RADIUS, AND THE RECIPROCAL VALUE  
<<Not Shown>>       
The blends used are (by volume): 100% XYLENE, MEOH/XYLENE(10/90),
MEOH/XYLENE(20/80), MEOH/XYLENE(30/70), MEOH/XYLENE(40/40),
MEOH/XYLENE(45/55), MEOH/XYLENE(50/50), MEOH/XYLENE(55/45),
MEOH/XYLENE(60/40), MEOH/XYLENE(70/30), MEOH/XYLENE(80/20),
MEOH/XYLENE(90/10), MEOH/XYLENE(95/5), 100% MEOH



A HYPOTHETICAL EXAMPLE OF A LACQUER 


For example, let us assume that we have a general purpose white
lacquer, what follows is the vehicle formulation.  
       
              COMPONENTS                         VOL. FRACTION   

              Titanium Dioxide                   .405
              EBA                                .162
              MEK                                .108
              TOLUENE                            .108
              n-BUTYL BENZYL PHTHALATE           .216

These fractions were taken from the formulation, converted to
volume fractions and normalized to 1.

The resin in the formulation is: PMMA (polymethyl methacrylate)

The object is to test whether the original formulation will
solubilize the resin. The next step is to try replacement
solvents. Perhaps, let's try EBA as a first replacement.

After CO-SOLVE-IT! is run, the following report was generated:

RESIN: PMMA

Solvent :TIO2 RN57        volume fract. (0.000-1.000)  .405 
Solvent :EBA              volume fract. (0.000-1.000)  .162 
Solvent :MEK              volume fract. (0.000-1.000)  .108 
Solvent :TOLUENE          volume fract. (0.000-1.000)  .108 
Solvent :N-BUTYL BENZYL PHTHALATE volume fraction =    .216













On the following pages are a CO-SOLVE-IT! run. Notice that a run
was made for each individual solvent and plasticizer. This was
done to complete the characterization. Also notice that EBA does
dissolve PMMA better than does PMA by itself. However, in
conjunction with the other solvents, this resin should (in
theory) be soluble. The pigment was included just for fun.If you
were only concerned with resin-solvent solubility, this would not
be necessary.



ORIGINAL FORMULATION (as given above)




 
Resin Solubility Report       Date :19930804
=======================


Resin/Pigment :PMMA
         
Resin's/Pigment Properties: 
(Hansen H-Bond, Polar, Dispersion, Radius of Interaction)
H-Bond :7.50   Polar :10.50   Dispersion :18.60
Radius of Interaction :8.60

Solvent(s) Blend Properties

H-Bond :       Polar :        Dispersion :   R-Radius
--------       -------        ------------   ------
10.68984       8.1081         16.2108        6.2232926 

Solvent Interaction Radius = 6.2232926 
Resin/Pigment Radius of Interaction = 8.6 

The resin/pigment PMMA IS soluble in the solvent(s).
----------------------------------------------------


(The original solvents and pigment, as expected should be soluble
in the resin.)














SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

     
Radii of Interaction in Hansen Space

Vol. Fraction           Solvent(s)     Resin      Soluble? YES
     
          RESIN:----> PMMA
     .270 EBA                               3.16      8.60       

     .180 TOL
     .180 MEK
     .360 n-Butyl benzyl phthalate

                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     

          RESIN:----> PMMA
     .270 PMA                               3.88      8.60       

     .180 MEK
     .180 TOL
     .360 n-Butyl benzyl phthalate

                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
     solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 












SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

Radii of Interaction in Hansen Space

Vol. Fraction   Solvent(s)     Resin      Soluble? (yes/no)


               RESIN:----> PMMA
     1.00 Di-n-butyl phthalate              4.21      8.60 yes




                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     
          RESIN:----> PMMA
     1.00 n-Butyl benzyl phthalate          4.54      8.60      




                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     












SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

Radii of Interaction in Hansen Space

Vol. Fraction              Solvent(s)     Resin      Soluble?
                                                    (yes/no)
     
          RESIN:----> PMMA
     .270 PMA                               5.22      8.60 (yes) 

     .180 MEK
     .180 TOL
     .360 Di-n-butyl phthalate

                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     
          RESIN:----> PMMA
     1.00 EBA                               5.43      8.60    yes



                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

    












SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

Radii of Interaction in Hansen Space

Vol. Fraction                  Solvent(s)     Resin      Soluble?
                                                         (yes/no)

   
          RESIN:----> PMMA
     .460 PMA                               6.04      8.60 (yes) 

     .180 TOL
     .360 Di-n-butyl phthalate


                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     
          RESIN:----> PMMA
           .640 PMA                       6.40      8.60 (yes)   

           .360 Di-n-butyl phthalate



                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 

     










SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

Radii of Interaction in Hansen Space

Vol. Fraction                  Solvent(s)     Resin      Soluble?
                                                         (yes/no)

                  RESIN:----> PMMA
     1.00 PMA                               8.66      8.60  (no) 






                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 


          RESIN:----> PMMA
     1.00 DPMA                           9.67      8.60      no




                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 













SOLVENT-BASED RESIN/SOLVENT SOLUBILITY                  08-04-93
USING HANSEN PARAMETERS

Radii of Interaction in Hansen Space

Vol. Fraction               Solvent(s)     Resin      Soluble?
                                                      (yes/no)   

   
          RESIN:----> PMMA
     1.00 TOL                        9.96      8.60      no




                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 


          RESIN:----> PMMA
     1.00 MEK                          16.24      8.60      no




                   Graphical Representation of the Calculations
                   ____________________________________________

If SOLVENTS radius LESS THAN (<) RESINS radius, solvent should
solubilize the resin.

      Solvents Radius-> 

      Resins Radius---> 















CO-RESIN'S MAIN MENU

            CO-RESIN / COMMAND MENU                              

      
                                                                 

             
            K.....Menu - Polymer Hansen Regression Program       

      
            S.....Select those Solvent(s) which Swell the Resin. 

      
            V.....View Results on the Screen                     

      
            Z.....Print to a File, after solvent mix run.        

      
            P.....Print to the Printer                           

      
            B.....Execute a BATCH print job.                     

      
            G.....Graph the results                              

      
            J.....3D Graph of Resin/Solvent(s) interaction       

                  as a function of 2 parameters.                 

      
                                                                 

             
            *     UTILITIES MENU     *                           

                                                                  
   
             
            C.....Create a new Resin file                        

      
            A.....Add data to the 'NEW' Resin file               







      
            L.....List the resin file to the screen              

      
            F.....Find a SOLVENT                                 

      
            H.....Help - Instructions & Solvent/Resin Lists      

      
            X.....Erase the log file: resin.txt                  

      
            Y.....do RESIN statistics, calculate k&C values.     

      
            O.....Input k values, calculate RESIN parameters     

                  and print out report to disk file.             

     
            Q.....Quit the program                               

      
                   Your selection?                               

             


Instructions:                                                    

                                                                 

                           
Enter the key corresponding to the command you wish to select.   
Next, if you wish to determine an unknown resin's radius         
of interaction, enter at least 7 solvents which are known        
to solubilize the resin. Once all of the information is entered,
press return to end this process. At this point the radius for
the resin and the resin's Hansen parameters are approximated.(by
method 1). If the radius vector cannot be determined, (singular  
or saddle points are encountered), then the report routine,
(Option v) will tell the user to try a different solvent    
combination. Try adding or deleted a solvent first. Note that
minimum user information is being supplied, the user should keep
in mind these are only estimates of resin parameters, and should
be treated as such if used in future simulations. You may then
print to the screen, file or the printer.                      
                                                                 





             
                   --- MENU KEY ---                              

             
                                                                 

    K-  Start the program "CO-RADII"         
                                                                 

             
    S - Solvent selection: Enter up to 65 solvent/Solution.      
        viscosities.(End of help file has suggested TEST MIX)    
        Enter the solvent name, (abbrev.), exactly as the solvent

        appears in the documentation. Also, enter the resin      
        and solvent mix (solution) viscosity.                    
        The Hansen values are then printed to the screen and are 
        automatically logged to RESIN.TXT. 
        Repeat the process; at least 5 solvents must be entered.  
                            
                                                                
                                                                 

            
    V - VIEW selection: See the result printed to the screen.    

             
                                                                 

             
    Z - LOG the VIEW : Log to file RESIN.TXT - to keep result.   

    
                                                                 

             
    P - PRINT the VIEW to the printer (lpt1 or prn)              

             

                                                                 

             
    B - BATCH print the solvent(s) and resin parameters          
        to printer attached to lpt1, cumulative RESIN.TXT        

            
                                         
    G - Graph the results. There is a set of graphs and solution 
        maps that show how the solvents interact with the resin. 





   
         
             --- UTILITIES MENU - KEY                            

             
                                                                 

             
    C - Create a new solvents data file, of your own.            

             
                                                                 

             
    A - Add solvents and hansen parameters to the file           
        that you create.                                         

             
                                                                 

             
    L - LIST the solvents data base to the screen.               
        This is one way to check a solvents accepted abbrev.     
        Be prepared to scroll through all 500+ solvents.         

             
                                                                 

             
    F - FIND a solvent, not used in calculations. Another way    
        to check the spelling of the solvents abbrev.            

             
                                                                 

             
    H - HELP FILE & SOLVENT/RESIN LISTS the file you are reading.

             
                                                                 

    O - Input the 'k' values and determine intrinsic visc. of the
        different solvents. After that press any key and a number
        of viscosity maps will be graphed. Print screen from     

        keyboard to hard copy. Appropriate printer drivers must  
        have been loaded first from DOS- MS DOS 'graphics.com'   

               






                                                                 

             
       CO-RESIN uses two methods to determine the resin Hansen   
       parameters and the radius of interaction. The first uses 
       a summation of the solvents radius vector and projects   
       this radius vector on a surface in 3-Hansen Space.        
       The magnitude of this vector is the radius. The           
       3-parameters are the projections of these surface         
       coordinates. - USE CAUTION -INTENDED TO ROUGH OUT A NUMBER

       WHEN DATA IS NOT AVAILABLE.      
       The second method requires a minimum of 5 solvents,      
       (the preferred minimum number is: 7 mixes), and relates    
       the INTRINSIC viscosity of the resin to the 3-component    
       model.
       This method writes a file to disk containing the solvent's 
       parameters and the intrinsic viscosity.                   
       Next, a powerful program called NONLIN does nonlinear      
       regression analysis and prints the results to a file.     

                        
                                                                 

             
PRINTING A GRAPH - To print a graph you must first have  
                   loaded (from DOS) the command:        
                  'GRAPHICS.COM' and the appropriate    
                   printer drivers for your printer.             
                   Your printer must be attached to lpt1.        
                   REMEMBER to turn the printer on & 'ON LINE'.  

                   Then select the print option when asked.      
                   At present all graphs in the series      
                   will be printed.                              

    
                                                                 

             
    Q -QUIT the program and go to the operating system.          

             
                                                                 

             
    PAGE DOWN FOR SOLVENT/RESIN TEST MIX INSTRUCTIONS            

             
                                                                 

                                                          
                                                                 

                                                                 

             
                        TEST MIX PREPARATION                      
           
                                                                 

             
    1. Make a solution of 100% solids resin (or calculated       
       solids, adjusting for solvents).                          
       All test solutions should be at the same concentration.   
       The CONCENTRATION is: in grams/100 ml (solvent). The range
       should be 5-10%, but, 'ALL' test solutions for a given     
       resin are at the same concentration say i.e. (10.0%);      
       accuracy counts.        
       All solutions should be at approximately the same          
       temperature.           
       (Temperature of solutions EQUAL TO OR GREATER THAN 25C)   
       Measure the solvent/resin solution temperature. (deg. C)  
       Measure the viscosity in consistent units.                
       Such as: centipoise, poise or seconds.                    
       You will need to look up (for now) the solvents viscosity.

             
       -SOLVENT viscosity @ 25 deg. C                            

            
       ENTER:     Temperature in degree C.                       
                  Solvent viscosity @ 25 deg. C                  
                  Solution viscosity @ test temp. deg.C          
                  Solute concentration for each.(g/100 ml)       

             
                                                                 

                                                        
                                                                 

        


















           
                        Swell Calculation Routine                
                        -------------------------                

             
                                                                 

             
    In this module you must enter the 'k' values obtained        
    from a set of solvents (minimum of 7) and a test resin.      

    The 'k' values are printed to the screen after you have      
    entered the set of solvents and a resin and have run         
    -Option Y - 'swell statistics'.                              
    You must determine experimentally the viscosity   
    of the resin solvent mix at constant conditions.             
    The 'k' values need only be entered once for a given resin.  
    These values are then used to 'guess' the relative 'swell'   
    that a new or different solvent might have on the resin of   
    interest.                                                    

             
Note:                                                            

             
These values are computed when the ascii file generated by CO-
RESIN is processed by NONLIN (tm). The idea is to try and find
out, for unknown solvents or solvent blends, what effect these
blends have on the resin. How much does blend X swell a test
polymer.

You might give these ideas a try with emulsions and systems
containing water. Water is a tough challenge. If its
concentration is the same for all samples, try running this
program with water included and excluded. By the way, this
program was not tested against experiment; it really should be,
but I do not own a laboratory.

                                                                 

             
                                                                 

                                                                 
                                                                 

     
                                                            
                                                                 

             
                                                                 
             

EXAMPLE INPUT DIALOGUE                       

                                                            
                         
What is the name of the resin ? hydrocarbon resin                 
            
How many solvents in the test mix? (min.=7) 7                     
            
Enter the temperature in degrees C (25-->70) : 27                 
            
What Solvent? tol                                                 
            
Enter the solvents viscosity at 25 deg. C :.7                     
          
Enter the viscosity for this solution (constant solids) :100      
            
Enter the solute concentration - (5-10% conc.) in (g/100 ml
soln.) :10          
                                                                
Solvent: TOL                                                     
             
Hansen Hydrogen: 3.27                                            

Hansen Polar: 1.64                                                
            
Hansen Dispersion: 19.43                                          
            
Total Solubility: 19.77                                           
                                                               
Solvent viscosity at 25 deg. C:  .7                              
             
Solvent corrected viscosity at  27  deg.C:  .64135434            
             
SOLUTION - viscosity at  27  deg.C:  100                         
             
Solute concentration in (g/100 ml):  10                          

             
                                                                 
INTRINSIC viscosity is:  15.492005                               

             
What Solvent?                                                    

             
                                                                 

             
            





EXAMPLE REPORT (RESIN.TXT)                                       

                      

         Solvent :tol


         Solvent :xyl


         Solvent :turpentine


         Solvent :ptb


         Solvent :a100


         Solvent :a150


         Solvent :vmpn


         Solvent :ptb


         Solvent :dptb


         Solvent :o-dichlorobenzene
         Resin Properties Report       Date :19930810
         =======================

     Resin :hydrocarbon resin
         

     Resin's Properties: 
     (Hansen H-Bond, Polar, Dispersion, Radius of interaction)

      H-Bond : 5.093 Polar : 2.716       Dispersion : 17.545 

      Solvent Interaction parameter = 18.470039 
      Resin's Radius of Interaction = 7.6105129 











EXAMPLE OF "SWELL DIALOGUE"

Enter K0: .44786                                                  
            
Enter Ka: -.8167                                                 
             
Enter Kb: .7929                                                  
             
Enter Kc: -1.085                                                 
             
How many solvent runs are to be made ?7                          
                                                                 
Enter the solvent name: dpm                                      

Enter the solvent's Hansen Disp. parameter: 15.13                
             
Enter the solvent's Hansen Polar parameter: 3.14                 
             
Enter the solvent's Hansen Hbond parameter: 13.7                 
                                                                 
Enter the solvent name: pm                                       

Enter the solvent's Hansen Disp. parameter: 15.34                
             
Enter the solvent's Hansen Polar parameter: 6.75                 

Enter the solvent's Hansen Hbond parameter: 15.75                 
                                                                  

Enter the solvent name: xyl                                       
        
Enter the solvent's Hansen Disp. parameter: 20.04                 
            
Enter the solvent's Hansen Polar parameter: 1.84                  
            
Enter the solvent's Hansen Hbond parameter: 2.45                  
                                                      
Enter the solvent name: tol                                      

Enter the solvent's Hansen Disp. parameter: 19.43                
             
Enter the solvent's Hansen Polar parameter: 1.64                 
             
Enter the solvent's Hansen Hbond parameter:                      

             
                                                                  






MENU FOR THE PROGRAM CO-RADII                                     
                            
             
            RESIN CALCULATION MODULE                      
            ------------------------                             
      
            (enter the appropriate letter)                       
      
                                                                 
            S.....Select Solvents from given set.                

      
            V.....Print to the Screen                            

      
            Z.....Print to a File -do to keep result.(radii.txt) 

      
            B.....Execute a BATCH print job.                     

      
            G.....Graph the results                              

      
                                                                 
            -------UTILITIES MENU-------                         

      
                                                                 
             C.....Create a new SOLVENTS file                    

       
             A.....Add data to the SOLVENTS file                 

       
             L.....List the solvent file to the screen           

       
             F.....Find a SOLVENT                                

       
             X.....Erase log files.                              

      
             H.....Help--->instructions                          

       
             Q.....Quit the program                               
                                                           
             
              Your selection?                                    

        
             

CO-RADII -- INPUT DIALOGUE                                       

                                  
         To what extent does the solvent solubilize the resin?   

             
         Enter: 10 - completely miscible                         

             
         Enter: 8 - hazy solution, almost completely soluble.    

             
         Enter: 5 - partially soluble, clumps or particles.      

             
         Enter: 2 - softens resin, not very soluble.             

             
         Enter: 1 - not at all soluble.                        
             
                   Test Solvents Mix                             
                   -----------------                             

        
                                                                 

             
     
        1-propanol          PnB                 o-dichlorobenzene 
 
     
        EB                  EBA                 Toluene           
 
          
        Acetone             1-Octanol           MEK               
 
          
        2-Nitropropane      Xylene              DMAC              
 
          
        PMA                 MIBK                Isophorone        
 
          
 
             
What Solvent? tol                                                

             
Enter the solubility factor for this solvent. :10                

             
                                                                  
                                   
                                                                 

             
SAMPLE OF CO-RADII - REPORT TO THE SCREEN               
                                                                 

             
Resin Solubility Report                          Date :19930811  

             
=======================                                          

            
             
Resin :                                                          

             
____________________________________________________________     

             
             
Resin's Properties:                                              

             
(Hansen H-Bond, Polar, Dispersion, Radius of Interaction)        

             
                                                                 

             
H-Bond :11.25      Polar :3.70    Dispersion :14.90              

             
Radius of Interaction : 7.3343203                                

             
                                                                 

             
                                                                 

             
                                                                 

                                                                 

 
                                                                 

             
                                                                 

                                                           



       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

1,3-butanediol

1,4-dioxane

1-1 dichloroethane

1-1 dichloroethylene

1-1-1 trichloroethane

1-1-2 Trichlorotrifluoroethane

1-1-2-2 Tetrabromoethane

1-1-2-2 tetrachloroethane

1-1-Dimethylhydrazine

1-2 dichloroethane

1-2 Dichlorotetrafluoroethane

1-2 dimethylbenzene

1-2-3-propanetriol

1-2-ethanediol

1-3-5 trimethylbenzene

1-3-Benzenediol

1-3-Butanediol

1-3-Dimethyl-1-butanol

1-Bromonaphthalene

1-butanamine

1-butanoic acid

1-butanol

1-chloropropane

1-Decanol





       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

1-Methylnaphthalene

1-Octanol

1-Pentanol

1-Pentanol

1-propanol

2-2-4 Trimethylpentane

2-butanol

2-butanone

2-Ethoxyethyl acetate

2-Ethyl-1-butanol

2-Ethyl-1-hexanol

2-furancarboxaldehyde

2-Methyl-1-propanol

2-methylbutane

2-nitropropane

2-nitropropane

2-Octanol

2-propanol

2-propanone

2-propenenitrile

2-Pyrrolidone

3-Chloropropanol

3-methylphenol

3-PLY CHLORINATED POLYETHYLENE






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


A100

A150

ACET

Acetaldehyde

Acetic acid

Acetic anhydride

acetone

Acetonitrile

acetophenone

Acetyl chloride

Acrylonitrile

Allyl alcohol

ALUMINUM PULVER BLACK 80

Aniline

Anisole

ARALDIT 488

ASPHALT

ASPHALTENE

ASTM FUEL A

ASTM FUEL B

ASTM FUEL C

ASTM OIL 1

ASTM OIL 2







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


ASTM OIL 3

AUTO BRAKE FLUID

AUTO TRANS. FLUID

BAKELITE PKHH

Benzaldehyde

Benzene

benzenemethanol

Benzoic acid

Benzonitrile

Benzyl alcohol

Benzyl Chloride

BETA-PINENE RESIN

Biphenyl

Bis(2-chloroethyl)ether

Bis-(m-phenoxyphenol)ether

BISPHENOL A EPOXY ESTER

BISPHENOL A EPOXY RESIN

BISPHENOL A TRIMELLITIC EPOXY ESTER

BLOCKED ISOCYANATE-PHENOL

BRILLIANT SKY BLUE 3862

bromobenzene

Bromochloromethane

bromoethane








       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

bromoform

butanol

Butoxy ethanol

Butoxy ethoxy ethanol

Butyl Acetate

Butyl Carbitol

Butyl Cellosolve

BUTYLBENZYL PHTHALATE

Butyraldehyde

Butyronitrile

BZOH

C318

Carbitol

CARBON BLACK PRINTEX V 5519-1

Carbon Disulfide

carbon tetrachloride

castor oil

Cellosolve

CELLULOSE ACETATE BUTYRATE  CAB-171-2

CELLULOSE ACETATE BUTYRATE  CAB-272

CELLULOSE AVICEL PH101

CELLULOSE PROPIONATE

chlorobenzene







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Chlorodifluoromethane

chloroform

chloromethane

CHLOROSULFONYL POLYETHYLENE

cis-Decahydronaphthalene

COAL RESIN #510

CYCK

Cyclohexane

Cyclohexane

cyclohexanol

Cyclohexanone

Cyclohexyl Chloride

Cyclohexylamine

DAA

DB

DBA

DBE

DE

DEA

decalin


DER 684

Di-(-isobutyl) ketone









       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Di-(2-chloroisopropyl)ether

Di-(2-methoxyethyl)ether

Di-n-butyl phthalate

Di-n-butyl sebacate

Di-n-propylamine

diacetone alcohol

Dibenzyl ether

DIBK

Dibutyl stearate

dichlorodifluoromethane

Dichlorofluoromethane

dichloromethane

Diethyl carbonate

Diethyl Ether

Diethyl Ketone

Diethyl phthalate

DIETHYL PHTHALATE

Diethyl sulfate

Diethyl Sulfide

Diethylamine

diethylene glycol

Diethylene Glycol

Diethylenetriamine







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Diethylketone

DIISODECYL PHTHALATE

dimethoxymethane

dimethyl formamide

dimethyl phthalate

Dimethyl phthalate

Dimethyl sulfone

dimethyl sulfoxide

Dimethylsulfoxide

Dioctyl phthalate

DIPE

dipropylene glycol

Dipropylene Glycol

DM

DMAC

DMF

DMSO

Dowanol DPM*

Dowanol PM*

Dowanol PMA*

Dowanol PnB*

Dowanol TPM*

DPB






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


DPE

DPM

DPMA

DPnB

DPTB

EAK

EB

EBA

EBZ

EE

EEA

EEH

EEP

eg monoethyl ether acetate

EGDAC

EHAC

EHOH

EM

EMA

EP

Epichlorohydrin

ETAC

Ethanethiol








       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


ethanoic acid

ethanol

Ethanolamine

ethenylbenzene

Ethoxy ethanol

Ethoxy ethoxyethanol

Ethoxy ethyl acetate

Ethyl acetate

Ethyl bromide

Ethyl chloroformate

Ethyl cinnamate

Ethyl formate

Ethyl lactate

ethylbenzene

Ethylene Carbonate

Ethylene cyanohydrin

Ethylene diamine

Ethylene dibromide

ethylene dichloride

Ethylene dichloride

ethylene glycol

Ethylene Glycol

ETOH







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


ETPR

FANALROSA G SUPRA PULVER RED

FORAFLON 4000LD PCUK FRANCE

FORM

FORMALDEHYDE 1,1-DIMETHYLPHENOL

Formamide

Formic acid

Freon 11

Freon 113

Freon 114

Freon 12

Freon 21

Freon 22

Furan

Furfural

Furfuryl alcohol

FURFURYL ALCOHOL RESIN

g-butyrolactone

gamma-butyrolactone

GBL

Glycerol

HANSAGELB 10G YELLOW

HELIOGENBLAU B PULVER BLUE 15






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"



HELIOGENBLAU LG PULVER BLUE 16

HELIOGENGRUN GN GREEN 7

Hexamethyl phosphoramide

hexane

Hexylene Glycol

HOAC

HOOKER DUREZ 14383

HYDROCARBON RESIN

HYPALON

IAMOH

IBIB

IBUAC

IBUOH

IPRAC

IPROH

Isoamyl acetate

isobutanol

Isobutyl acetate

Isobutyl isobutyrate

ISOCYANURATE ISOCYANATE RESIN

ISOK

ISOL BENZIDINE YELLOW G2537

ISOL BENZIDINE YELLOW GAPR9500







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


ISOL FAST YELLOW

ISOL RUBY RED BKS7520

ISOLBONARED 7522 RED

ISOLFAST RED 2G 2516 ORANGE

isooctane

Isopentane

isophorone

Isopropyl palmitate

LEXAN LS2

LIM

LINSEED OIL

LIPOSURFACT ALKYL-ARYL

LIPOSURFACT CYCLOHEXYL

LIPOSURFACT ETHYL

LIPOSURFACT HYDROXY STEARATE

LIPOSURFACT ISONOYL PHENYL

LIPOSURFACT ISOOCTYL PHENYL

LIPOSURFACT ISOPROPYL

LIPOSURFACT ISOTRIDECYL

LIPOSURFACT LAURATE

LIPOSURFACT lauryl

LIPOSURFACT N-BUTYL

LIPOSURFACT N-HEXADECYL








       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"



LIPOSURFACT OLEATE

LIPOSURFACT OLEYL

LIPOSURFACT PALMITATE

LIPOSURFACT STEARATE

LS

m-Cresol

MAK

MC

MEK

MEOH

Mesityl Oxide

Mesitylene

methanoic acid

methanol

Methoxy ethanol

Methoxybenzene

methyl acetate

methyl alcohol

Methyl Carbitol

Methyl Cellosolve

Methyl Chloride

methyl ether

methyl isobutyl ketone





       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Methyl oleate

Methyl Salicylate

Methylacetate

Methylal

methylbenzene

Methylcyclohexane

methylene chloride

Methylene dichloride

Methylene diiodide

Methylisobutylketone

MHK

MIAK

MIBK

MIL-H-5606 PETR.

MIL-H-8446 SILICATE

MIL-L-7808 ESTER

MIPK

MMB

MMBA

MNPK

MONOLITE FAST BLUE 4

Morpholine

MOTOR OIL SAE 20W







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


MPEAC

MS

MTBE

n-amyl alcohol

n-Butane

n-butanol

n-Butyl acetate

n-Butyl benzyl phthalate

n-Butyl chloride

n-Butyl lactate

n-Butylamine

n-butyric acid

n-Decane

n-Dodecane

n-Eicosane

n-Heptane

n-Hexadecane

n-Hexadecane

n-Hexane

n-methyl-2-pyrrolidone

N-Methyl-2-pyrrolidone

N-N-Dimethylacetamide

N-N-Dimethylformamide







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

n-Nonane

n-Octane

n-Octanoic acid

n-Pentadecane

n-Pentane

n-Propyl chloride

n-Propylamine

Naphthalene

NBUAC

NBUOH

NBUPR

NEATS FOOT OIL

NEBONY 100 INDENE-CYCLOPENTADIENE RESIN

NHEP

NHEX

nitrobenzene

Nitrobenzene

nitroethane

Nitromethane

NMP

Nonyl Phenol

Nonyl phenoxy ethanol

NP

NPEPR






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


NPRAC

NPROH

NPRPR

o-dichlorobenzene

o-dichlorobenzene

o-Methyloxyphenol

o-Xylene

octadecanoic acid

Oleic acid

Oleyl alcohol

OMS

p-Diethylbenzene

PAA

PARTIALLY BUTYLATED MELAMINE RESIN

PB

PC

PE

PEA

PEERLESS CARBON BLACK

PENTAERYTHRITOL MALEATED ROSIN RESIN

PENTAERYTHRITOL MALEATED ROSIN RESIN B

PENTAERYTHRITOL ROSIN ESTER A

PERC







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

perchloroethylene

Perfluoro-n-heptane

Perfluorodimethylcyclohexane

Perfluoromethylcyclohexane

PERMANENT BORDEAUX FRR RED 12

PERMANENT ORANGE G 13

PERMANENT RED FGR RED 112

PERMANENT VIOLET RL SUPRA 23

PERMANENTGELB H 10 YELLOW 81

PG

PG*

Phenol

PHENOLIC RESOL RESIN

PHOSPHATE HYDRAULIC

PHTHALOCYANINE BLUE BG

PLASTOPAL H UREA-FORMALDEHYDE BASF

PM

PMA

PMA/GBL/NMP(50/30/20)

PMA/NMP(70/30)

PMA/NMP(75/25)

PMA/THF/GBL/NMP(30/30/20/20)

PMA/THF/NMP(33/33/33)

PnB






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


PnP

POLY 1-BUTEN-4-OL

POLY ALLYL ALCOHOL

POLY AMIDOHYDRAZIDE

POLY BROMOPHENYLENE OXIDE DIMETHYL PHOSPHONATE

POLY CARBONATE

POLY CROTONAMIDE

POLY-ALLYL 1-METHYL-2-HYDROXYETHYL ETHER

POLY-ALLYL 2-HYDROXY-2-PHENYLETHYL ETHER

POLY-ALPHA-BROMO-N-HYDROXYMETHYL ACRYLAMIDE

POLY-ALPHA-PHENYLETHYL ISOCYANIDE

POLY1-CHLORO-2,3-EPOXYPROPANE

POLY1-HEXEN-3-OL

POLY1-NONYL-2-PENTENOL

POLY1-OCTEN-3-OL

POLY2-BROMOALLYL ALCOHOL

POLY2-CHLOROALLYL ALCOHOL

POLY2-ETHYL-1-PENTEN-3-OL

POLY2-ETHYL-1-PROPEN-3-OL

POLY2-HYDROXYBUTYL ACRYLATE

POLY2-HYDROXYETHYL ACRYLATE

POLY2-HYDROXYETHYL VINYL ETHER

POLY2-HYDROXYPROPYL ACRYLATE






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


POLY2-METHYL-1-BUTEN-4-OL

POLY2-METHYL-2-PROPEN-1-OL

POLY2-METHYL-3-BUTYLACRYLAMIDE

POLY3,3-DIETHYLOXETANE

POLY3-HYDROXBUTYL VINYL ETHER

POLY3-METHYL-1-BUTEN-3-OL

POLY3-METHYL-1-PENTEN-3-OL

POLY3-TERT-BUTYLOXETANE

POLY4-CHLOROCROTONAMIDE

POLY4-HYDROXYBUTYL ACRYLATE

POLY4-HYDROXYBUTYL VINYL ETHER

POLY5-HYDROXYPENTYL ACRYLATE

POLYAXYETHYLATED SORBITAN MONOOLEATE

POLYCINNAMIDE

POLYDIACETONE ACRYLAMIDE

POLYDICHLOROSTYRENE

POLYDIMETHYLSILOXANE

POLYEPICHLOROHYDRIN

POLYESTER CRYPLEX 1473-5

POLYESTER DYNAPOL L206

POLYESTER TYPE ALIPHATIC & SESQUITERPENE ACIDS

POLYESTER-MELAMINE

POLYFLUOROSILICONE

POLYGLYCOLAMINE






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


POLYMETHACRYLAMIDE

POLYMETHACRYLMORPHOLIDE

POLYN N-BIS HYDROXYETHYLACRYLAMIDE

POLYN,N-BIS[2-CYANOETHYL]ACRYLAMIDE

POLYN,N-DI-N-BUTYL ACRYLAMIDE

POLYN,N-DIBENZYLACRYLAMIDE

POLYN,N-DICYCLOHEXYLACRYLAMIDE

POLYN,N-DIISOPROPYL CROTOAMIDE

POLYN,N-DIPHENYLACRYLAMIDE

POLYN,N-DODECYL ACRYLAMIDE

POLYN,N-METHYLENE BISCROTONAMIDE

POLYN-1,1-BISHYDROXYMETHYLETHYL METHYLACRYLAMIDE

POLYN-1,1-DIBUTYLAMYL ACRYLAMIDE

POLYN-1-BUTYL-1,3-DIMETHYLBUTYL CINNAMIDE

POLYN-1-BUTYL-1-METHYLHEPTYL CINNAMIDE

POLYN-1-ETHYL-1,3-DIMETHYLBUTYL ACRYLAMIDE

POLYN-1-ETHYL-1-BUTYLAMYL ACRYLAMIDE

POLYN-1-ETHYL-1-METHYLBUTYL CINNAMIDE

POLYN-1-ETHYL-2-HYDROXYETHYL METHACRYLAMIDE

POLYN-1-HEXYL-2-HYDROXY-1-METHYLETHYL ACRYLAMIDE

POLYN-1-METHYL-1-BUTYL-3-METHYLBUTYLACRYLAMIDE

POLYN-2-CYANOETHYL ACRYLAMIDE

POLYN-2-CYANOETHYL-N-METHYL METHACRYLAMIDE







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


POLYN-2-OXOPROPYL ACRYLAMIDE

polyN-ACETOXYMETHYL METHACRYLAMIDE

POLYN-ACRYL-d-1-ALANINE

POLYN-AMYL ACRYLAMIDE

POLYN-BENZYL ACRYLAMIDE

POLYN-BENZYL METHACRYLAMIDE

POLYN-BENZYL-N-2-HYDROXYETHYL-METHACRYLAMIDE

POLYN-CHLOROPHENYL METHACRYLAMIDE

POLYN-CYCLOHEXYL ACRYLAMIDE

POLYN-ETHYL METHACRYLAMIDE

POLYN-ETHYL-2-ETHOXYCROTONAMIDE

POLYN-ISOBUTOXYMETHYL ACRYLAMIDE

POLYN-ISOOCTYLACRYLAMIDE

POLYN-ISOPROPOXYMETHYL ACRYLAMIDE

POLYN-ISOPROPYLACRYLAMIDE

POLYN-METHACRYLUREA

POLYN-METHOXYMETHACRYLAMIDE

POLYN-METHOXYMETHYLMETHACRYLAMIDE

POLYN-METHYL METHACRYLAMIDE

POLYN-METHYL-3-ETHOXYACRYLAMIDE

POLYN-METHYL-N-PHENYLACRYLAMIDE

POLYN-METHYLACRYLAMIDE

POLYN-N-BUTYL-2-ETHOXY ACRYLAMIDE






       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


POLYN-N-HEPTYLACRYLAMIDE

POLYN-N-OCTADECYLACRYLAMIDE

POLYN-P-METHOXYPHENYLMETHACRYLAMIDE

POLYN-P-METHYLBENZYLACRYLAMIDE

POLYN-tert-AMYL METHACRYLAMIDE

POLYN-tert-BUTYL CINNAMIDE

POLYOXETANE

POLYOXYMETHYLENE

POLYVINYL BUTYRAL

POLYVINYL SILICONE

POLYVINYLIDENE FLUORIDE

POLYVINYLIDENE FLUORIDE RESIN

POLY[ALLYL 2,3-DIHYDROPROPYL ETHER]

PP

Propanediol

Propionitrile

propylene carbonate

propylene glycol

Propylene-1-2-carbonate

PTB

Pyridine

Quinoline

R11








       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


R113

R114

R115

R12

R13

R13B1

R142B

R152A

R21

R22

R40

RED IRON OXIDE

REFLEX BLAU

resorcinol

ROSIN ESTER GUM

SATURATED POLYESTER

SBUAC

SBUOH

SHELLAC

SPERM OIL

SS140

SS70

Stearic acid







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Styrene

Succinic anhydride

TBA

TBUAC

TBUPR

TCE

TCENE

tetrachloromethane

tetrachloromethane

tetrahydrofuran

TetrahydrofuranCRC

tetrahydronaphthalene

tetralin

Tetramethylurea

TEX

THF

THF/DPM/NMP/GBL(30/30/20/20)

TIO2 RN57

TOL

TOL/MEK(60/40)

toluene

TPM

trans-Decahydronaphthalene







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"


Tri-n-butyl phosphate

tribromomethane

Trichlorobiphenyl

trichloroethylene

trichloroethylene

trichlorofluoromethane

trichloromethane

TRICRESYL PHOSPHATE

Tricresyl phosphate

Tridecyl alcohol

Triethyl phosphate

Triethylene Glycol

Triethylene Glycol

Trimethyl phosphate

TRIOCTYL PHOSPHATE

TRIPHENYL PHOSPHATE

TRIXILENYL PHOSPHATE

TS5

TURPENTINE

UREA-FORMALDEHYDE RESIN

VMP

VMPN

WAT







       SOLVENTS, RESINS, SURFACTANT AND PIGMENTS IN "SOLVENTS.IN"

water

WATER-GLYCOL HYDRAULIC FLUID

X813

X81K

X8600

X8700

X8800

X8900

XYL

xyl/meoh*50/50

Xylene

(LATE ADDITIONS)

TPnB

DPnP


























RESINS AND PIGMENTS DATABASE (RESINS.IN) IN ALPHABETICAL ORDER


Alkydal F41

ALUMINUM PULVER BLACK 80

Bisphenol A epi

Bisphenol A polySulfone

BRILLIANT SKY BLUE 3862

Bunahuls CB10

Butvar B76

CARBON BLACK PRINTEX V 5519-1

Cellidore

Cellolyn 102

Cellulose nitrate H-23

Ceriflex IR305

Color Jet Co-113

cymel 300

D.E.N novolac 438

D.E.R 331

Desmorphen 850

Drugloss Bla

Durez 14383

Epikote 1001

Ester gum BL

FANALROSA G SUPRA PULVER RED

HANSAGELB 10G YELLOW

HELIOGENBLAU B PULVER BLUE 15





RESINS AND PIGMENTS DATABASE (RESINS.IN) IN ALPHABETICAL ORDER



HELIOGENBLAU LG PULVER BLUE 16

HELIOGENGRUN GN GREEN 7

Hycar 1052

ISOL BENZIDINE YELLOW G2537

ISOL BENZIDINE YELLOW GAPR9500

ISOL FAST YELLOW

ISOL RUBY RED BKS7520

ISOLBONARED 7522 RED

ISOLFAST RED 2G 2516 ORANGE

Lucite 2042

Lutonal IC/123

MONOLITE FAST BLUE 4

Mowilith 50

PAN

Parlon P-10

PEERLESS CARBON BLACK

PEMA

Pentalyn 255

Pentalyn 830

PERMANENT BORDEAUX FRR RED 12

PERMANENT ORANGE G 13

PERMANENT RED FGR RED 112

PERMANENT VIOLET RL SUPRA 23






RESINS AND PIGMENTS DATABASE (RESINS.IN) IN ALPHABETICAL ORDER


PERMANENTGELB H 10 YELLOW 81

Phenodur 373U

PHTHALOCYANINE BLUE BG

Piccolyte S-1000

Piccopale 110

Piccoumarone 450-L

Plastopal

Plexal C34

Plexal P65

PMMA

Poly(methyl methacrylate)

poly(p-chlorostyrene)

Polyacrylonitrile

Polyamide

polyamide 6,6,poly(hexamethylene adipa.)

polybromophenylene oxide(dimethyl)phosph

polybutadiene

polymethacrylamide

Polysar 5630

Polystyrene LG

PVAC

PVC

RED IRON OXIDE








RESINS AND PIGMENTS DATABASE (RESINS.IN) IN ALPHABETICAL ORDER


REFLEX BLAU

Rhoplex WL-91

Sericol MV 043

Sericol Polyplast PY-043

Sericol red Seristar D2528

Super Beckacite 1001

Suprasec F5100

Thermojet Hvid

TIO2 RN57

tsrink070193

Versamid 930

Versamid 965

Vipla KR


























Radii.in - DATABASE



o-dichlorobenzene

mibk

isophorone

1-octanol

dmac

xylene

2-nitropropane

mek

acetone

toluene

eba

eb

pma

pnb

1-propanol






















RADII - DATABASE (INTENTIONALLY LEFT BLANK)





















































REFERENCES


1. - The Three Dimensional Solubility Parameter - Key to Paint
Component Affinities, Charles M. Hansen, Journal of Paint
Technology, vol. 39, no. 505, Feb. 1967

2. - Solubility Parameters, Allan F. M. Barton, Chemical Reviews,
1975, vol. 75, no. 6

3. - The Challenge of the Solubility Parameter Concept, Harry
Burrell, Journal of Paint Technology, vol. 40, no. 520, May 1968

4. - New Values of the Solubility Parameters from Vapor Pressure
Data, K.L. Hoy, Journal of Paint Technology, vol. 42, no. 541,
Feb. 1970

5. - Some Factors Affecting the Solubility of Polymers, P. A.
Small, Journal of Applied Chemistry,3,Feb. 1953

6 - Dissolving Power of Solvents and Solvent Blends for Polymers,
P.L. Huyskens & M.C. Haulait-Pirson, Journal of Coatings
Technology, vol. 57, no. 724, May 1985

7. - Phenomenon of Cosolvency and Solution Parameters of
Polyamide Resins, G. Narender & M. Yaseen, Indian Institute of
Chemical Technology, Journal of Coatings Technology, vol. 61, no.
773, June 1989

8. - Application of Intrinsic Viscosity Data for Determination of
Solubility Parameters and Molecular Weights of Alkyds, H. Ahmad &
M. Yaseen, Journal of Coatings Technology, vol. 50, no. 640, May
1978

9. - Suspension Interaction of Pigments in Solvents:
Characterization of Pigment Surfaces in Terms of Three-
Dimensional Solubility Parameters of Solvents, K.M.A. Shareef, M.
Yaseen, M. Mahmood Ali, P.J. Reddy, Journal of Coatings
Technology, vol. 58, no. 733, Feb. 1986

10. - Using the Hansen Solubility Parameter Theory in
Reformulating Solvent-Based Coatings., Wesley L. Archer, American
Paint and Coatings Journal, March 2, 1992.

11. - Statistics for the User in Coatings, Robert D. Athey Jr.,
American Paint & Coatings Journal, Sept. 14, 1992
 








12. - Handbook of Solubility Parameters and Other Cohesion
Parameters, Allan F. M. Barton, CRC Press 1985, Handbook of
Polymer Parameters, CRC Press.


13. - Numerical Recipes in Pascal - The Art of Scientific
Computing, Cambridge University Press, 1989

14. - Intro. to Paint Chemistry & Principles of Paint Tech., 
G.P.A Turner, C&H, 1988

ACKNOWLEDGEMENTS

Even for this modest effort, my association with many other
people has contributed to this program. To those many others my
thanks. For those who contribute with their criticism and
suggestions, my gratitude and appreciation.
There are two people I would like to mention: First, my wife for
putting up with the many hours in front of the tube, and for
helping to proof read this document (a difficult task for someone
with no technical interests). All remaining errors in the program
and document are exclusively my own. I would also like to thank
my daughter, a first year chemistry student, she named the
program and engaged me in discussions about chemistry, she has a
curious and clever approach to ordinary problems.

Special thanks to the following Software Companies:

Mix Software, Inc. - makers of: "POWER C (tm)"

Philip Serrod, author of: "NONLIN (tm)" (4410 Gerald Place,
Nashville, TN 37205)

True Basic, Inc. - makers of: "True Basic (tm)"

Polysoft (now called Poly Software International) - makers of:
"PS-PLOT" (now called PSI-PLOT), technical plotting program
(High quality graphs in the doc's. were made using "PS-PLOT") 

Application Techniques, Inc. - makers of: "Pizazz Plus(tm)" (I
used this program to capture some screens)

Expressware Corp. - makers of: "File Express (tm)" (This is a
fine database program, made my life much easier.)

All of the above products were used to develop these programs,
they are all very fine products. A novice programmer, as I am,
needs all the support one can get!

















 