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By Dean C. Webster
North Dakota State University


Contents

Introduction
0. Unit Conversions
1. Pigment Related Calculations
a. Pigment Volume Concentration (PVC)
b. Oil Absorption (OA)
c. Critical Pigment Volume Concentration (CPVC)
d. Reduced PVC
e. Pigment/Binder Ratio
2. Formulation Related Calculations
a. Volatile Organic Content (VOC)
b. Coverage Area
c. Hiding Power and Spreading Rate
d. Viscosity
3. Resin Related Calculations
a. Correcting for Solvent
b. Percent Functional Group
c. Acid Number or Acid Value
d. Acid Equivalents
e. Carboxyl Equivalent Weight
f. Hydroxyl Number (OHN)
g. Hydroxyl Equivalents
h. Hydroxyl Equivalent Weight
i. Percent Hydroxyl
j. Amine Value
k. Amine Equivalent Weight
l. Epoxy Content
m. Isocyanate Content
n. Stoichiometric Calculations
4. Other Relationships
a. Relative Humidity
b. Dew Point
5. Spreadsheet Programs
1
Introduction

The successful formulation of protective and decorative coatings requires the calculation of
many parameters. Most of these are relatively straightforward algebraic calculations; however,
an understanding of the units used is often required in order to understand the calculations and
conversions of one unit into another.

To date, there has been no comprehensive single source collection of these calculations. Most
scientists obtain the various formulas from other scientists or gather them from published
sources. The common equations and relationships used in the formulation of coatings are
described and explained through the use of examples.

The intent of this guide is to provide an easy to use reference guide for coatings calculations. For
detailed explanations of the principles behind the calculations, one of the many textbooks on
coatings technology or the associated ASTM or ISO methods should be consulted.

Two Excel spreadsheets accompany this guide. The first contains an easy to use collection of
converters and calculators to perform unit conversions or simple calculations. The second
spreadsheet contains a simple coatings formulation system. This coatings formulation
spreadsheet is explained in detail here.

The calculations have been grouped into four major categories: (1) Pigment-related calculations,
(2) Formulation-related calculations, (3) Resin related calculations, and (4) Other relationships.


0. Unit Conversions

Due to its legacy stretching back into the 19
th
century, the paint industry was developed when
English units were commonly used. Even with the general adoption of SI units by scientists, the
English units persist. Thus, when doing many calculations, conversion must be made between
these units.

Basic Units

453.592 grams/pound
2.2046 pounds/kg
3.785 liters/gallon
231 in
3
/gallon
3780 ml/gallon

Example

A formulation contains 3000 g of pigment, how many pounds are in the formulation?

lbs
lb
g
g
614 . 6
592 . 453
3000
!

2
Density

Gallons
Pounds
Gallons
Pounds
Liter
Grams
* 0 . 120
* 785 . 3 / 1
* 454
!
!


Temperature
15 . 273
32 )
5
9
(
) 32 (
9
5
" !
" !
# !
C K
C F
F C
! !
! !
! !



1. Pigment-Related Calculations

a. Pigment Volume Concentration (PVC)

PVC is defined as the volume fraction of pigment in the dried coating film. Thus,

b p
p p
V V
V
V
V
PVC
"
! !

where V
p
is the pigment volume, V is the total volume of coating, and V
b
is the volume of the
vehicle or binder solids. Solvents or other volatile materials that are not present in the final dried
coating film must not be included in the total volume of the coating.

Often, the coating ingredients are given in terms of mass units. In that case, the mass must be
converted to volume using the density:

b
b
p
p
p
p
p
d
M
d
M
d
M
V
V
PVC
"
! !

where M
p
is the mass of the pigment, d
p
is the pigment density, M
b
is the mass of the binder or
resin and d
b
is the density of the binder or resin.

Usually when formulating a coating, a mixture of several pigments and possibly several different
binders are used. In that case the contribution of individual components must be added.
Conversion from mass to volume must be done before summing the individual components into
the PVC equation.
3
$ $
$
$
$
"
! ! !
i i bi
bi
pi
pi
i pi
pi
i
i
i
pi
p
d
M
d
M
d
M
V
V
V
V
PVC

Note that when multiple resins are used, ideal mixing is assumed (i.e. volumes are additive). This
also carries over to thermosetting systems: volumes of resin and crosslinker are added together
with no correction for volume shrinkage resulting from curing.

Examples

1. A paint formula contains 350 pounds of TiO
2
pigment and 600 pounds of a resin (solid
component only). The density of the pigment is 32.30 lb/gal and the weight per gallon of the
resin is 8.50 lb/gal. What is the PVC of the coating?

133 . 0
50 . 8
600
30 . 32
350
30 . 32
350
!
"
! !
gal lbs
lbs
V
V
PVC
p


2. A paint formulation consists of 2000 g of TiO
2
pigment, 4000 g of Resin A, and 1000 g of
Resin B. What is the PVC of the coating? Density of resin A and B are 8.50 and 8.75 lbs/gal,
respectively.

First, the units need to be converted so that the calculations are based on the same units. It is also
useful to use a table or spreadsheet to organize the information.

Ingredient Weight, g Lbs/Gal Weight, lbs Vol, gal
TiO
2
3000 32.30 6.614 0.205
Resin A 4000 8.50 8.818 1.037
Resin B 1000 8.75 2.205 0.252
Total 1.494


Now, we can put these numbers in the PVC equation:
137 . 0
494 . 1
205 . 0
252 . 0 037 . 1 205 . 0
205 . 0
! !
" "
! !
V
V
PVC
p



b. Oil Absorption (OA)

The amount of linseed oil that a given pigment can absorb so that each pigment particle is coated
with a thin layer of oil is called the pigments oil absorption. The oil absorption is proportional to
the surface area of a pigment, which is in turn related to the particle size, roughness, and
porosity. Several methods have been used to determine the oil absorption of pigments; two are
ASTM methods D 1483 and D 281.

Oil absorption (OA) is defined as the grams of oil absorbed per 100 g pigment.
4

100
93 . 0
100 x
P
x V
x
P
M
OA
O O
! !

where M
o
is the mass of oil in grams, P is the mass of pigment, V
o
is the volume of oil and 0.935
is the density of linseed oil. Note that OA is unitless.

Example

In an oil absorption test, 10 grams of oil is absorbed in 35 grams pigment.

57 . 28 100
35
10
100 ! ! ! x x
P
M
OA
O



c. Critical Pigment Volume Concentration (CPVC)

The CPVC is defined as the point where there is just sufficient binder present in a paint
formulation to cover each pigment particle with a monolayer and also fill the voids between the
pigment particles. Determining the CPVC is generally done using experimentation. Models for
predicting the CPVC have been developed, however they involve knowledge of the particle size
distribution of the pigments as well as the thickness of the absorbed resin on the pigment
particles. It can be calculated from an oil absorption determination as follows:

K
OA
CPVC
%
"
!
1
1


where OA is the oil absorption value, % is the specific gravity of the pigment, and K is 100 times
the specific gravity of the binder.

Example

A TiO
2
pigment has an oil absorption value of 11.0 and a density of 4.2 g/ml. Linseed oil has a
density of 0.935, so K is 93.5.

669 . 0
5 . 93
) 2 . 4 )( 0 . 11 (
1
1
1
1
!
"
!
"
!
K
OA
CPVC
%



d. Reduced PVC

A useful value for comparing paint formulations to one another is the reduced PVC, &.

CPVC
PVC
! &
5

Example

A formulation has a PVC of 0.335 and the CPVC is 0.669,

50 . 0
669 . 0
335 . 0
! ! ! &
CPVC
PVC



e. Pigment/Binder Ratio

While the PVC of a coating formulation is a highly meaningful method for comparing paint
formulations, the simple ratio of pigment content to the amount of binder is often used in
developing formulations. Unless otherwise noted, the basic formula is based on mass. It is
especially useful when the densities of the ingredients are not known.

b
p
M
M
B P !

where M
p
is the mass of pigment and M
b
is the mass of binder (resin) in the formula. Note again
that this equation is only useful for the final dry coating, so any solvents present in the
formulation must be excluded from the calculation.

Example

In the formulation from a previous example, a coating contains 5000 g of resins and 3000 g of
TiO
2
pigment. What is the P/B?

60 . 0
5000
3000
/ ! !
g
g
B P

The pigment to binder ratio can also be given in terms of volume of the materials:

' (
b
p
vol
V
V
B P !

as above, V
p
is the volume of pigment and V
b
is the volume of binder.


2. Formulation Related Calculations

a. Volatile Organic Content (VOC)

In the United States, the VOC of a coating is reported as the mass of volatile organic materials
(pounds or grams) released from one gallon or one liter of paint less water or other exempt
solvents. The VOC of a coating is determined experimentally using methods defined by the
appropriate governing body. The Environmental Protection Agency (EPA) has established
6
Method 24 for VOC determination. Method 24 refers to several ASTM methods that are to be
used in carrying out the individual measurements required to determine the VOC. These include
ASTM method D1475 for determining density, D2369 for determining volatile content of
coatings, D3792 for determining water content by gas chromatography, D4017 for determining
water content by Karl Fischer titration, D4457 for determining dichloromethane and 1,1,1,-
trichloro ethane in coatings, and D5403 for determining the volatile content of radiation curable
materials.

The theoretical VOC of a formulation can be calculated based on the amount of solvent in the
formula. This approach may have a number of risks, resulting in a calculated VOC that is very
different than the experimentally determined VOC: (1) There may be some components in the
resins or pigments that are volatile under the conditions of the VOC test method; (2)
Crosslinking reactions may result in the release of organic molecules; (3) Some organic solvents
may not be totally volatilized under the conditions of the VOC test. With these considerations in
mind, calculating the theoretical VOC may be useful for comparing formulations to each other,
but should not be used as a replacement for the actual determination of VOC using the required
test method.

With these possible problems in mind then, the VOC can be calculated from a formulation like
this:

Exempt Coating
Exempt Volatiles
V V
M M
VOC
#
#
!

where M
Volatiles
is the mass of all of the volatile compounds in the coating, M
Exempt
is the mass of
exempt volatiles, V
Coating
is the volume of coating formulation, and V
Exempt
is the volume of
exempt solvents in the coating. Another way of viewing this calculation is that the exempt
solvents are ignored in the calculations.

Outside of the United States, care must be taken to ensure that the local definitions are used
when determining that status of a solvent (exempt or non-exempt) and the specific calculation
used. For example, in Europe, VOC is determined using the following equation:

Coating
Exempt Volatiles
V
M M
VOC
#
!

A key difference is that the exempt solvents are included in the denominator but excluded from
the numerator.

Examples

1. Solventborne Coating

The following paint formulation is given:
7
Ingredient %NVM Pounds Gallons Pounds Volatiles
Acrylic Resin in MAK 71.00 461.00 52.90 133.69
Additive 52.00 2.00 0.30 0.96
MAK 0.00 186.00 27.10 186.00
Pigment 100.00 291.00 9.00
Isocyanate 100.00 104.00 10.70
Totals 1044.00 100.00 320.65


Now, calculate the VOC. Since there are no exempt solvents in the formulation, the calculation is
straightforward:
lbs/gal
V
M
VOC
coating
Volatiles
21 . 3
0 . 100
65 . 320
! ! !

2. Waterborne Coating

A simplified latex coating formulation is given:

Ingredient % NVM Pounds Gallons Pounds Volatiles Pounds Exempt Gal. Exempt
Water 0.0 264.00 31.70 264.00 264.00 31.70
Ethylene Glycol 0.0 18.00 1.90 18.00
AMP-95 0.0 1.70 0.20 1.70 0.09 0.01
Additives 50.0 39.00 3.90 19.50 19.50 2.34
Pigments 100.0 500.00 19.10
Latex Emulsion 55.0 216.00 24.30 97.20 97.20 11.67
HEC, 3% Soln. 3.0 145.00 17.40 140.65 140.65 16.88
Coalescent 0.0 12.00 1.50 12.00
Totals 1195.70 100.00 553.05 521.44 62.60

The following assumptions are made: (1) The only volatile in the latex is water, which is exempt;
(2) The coalescent is volatile and not exempt; and (3) The only solvent in the additives is water.
Using the rules in the United States, the VOC is:

g/L 101.4 lb/gal 845 . 0
60 . 62 0 . 100
44 . 521 05 . 553
! !
#
#
!
#
#
!
Exempt Coating
Exempt Vol
USA
V V
M M
VOC

In Europe, the calculation is different:

g/L 37.93 lb/gal
V
M M
VOC
Coating
Exempt Vol
! !
#
!
#
! 316 . 0
0 . 100
44 . 521 05 . 553



b. Coverage Area

Calculation of coating coverage involves determining the area that a paint film of a given
thickness will cover. To do this, first determine the volume solids content of the paint, then
convert the volume units to film thickness in one direction and area in the other two dimensions.
8

English Units

The following unit conversion relationships are combined into the equation for coverage area in
English units.

mils Inch
Inches Foot
ft Gallon
1000 1
12 1
1334 . 0 1
3
!
!
!


tionSolids VolumeFrac gal mil ft sq Coverage * 8 . 1600 ) / / . . ( !

SI Units

The following unit conversion relationships are combined into the equation for coverage area in
SI units.

microns Meter
meters Liter
10 1
10 1
6
3
!
!
#


tionSolids VolumeFrac liter micron m Coverage * 1000 ) / / (
2
!

Example

A paint formulation contains 0.35 gallons solids per gallon of wet paint. What is the coverage
area for a 4 mil dry film?

28 . 560 35 . 0 * 8 . 1600 ) / / . . ( ! ! gal mil ft sq Coverage

For a 4 mil film, the coverage area is 560.28/4 = 140.1 sq.ft./gal.

Since the equation uses Volume Fraction, a unitless value, to calculate the coverage area, the
volume fraction calculated above can be used directly in the SI units equation.

350 35 . * 1000 ) / / (
2
! ! liter micron m Coverage

For a 100 micron film, the coverage area is 350/100 or 3.5 m
2
/liter


c. Hiding Power and Spreading Rate

The hiding power calculation described in ASTM D 2805 uses Kubelka-Munk theory to
determine the film thickness required for hiding, and thus the spreading rate of a given paint.
These calculations follow the ASTM method closely and it is assumed that the experimental
procedures described by the method are followed.

9
First the contrast ratio is determined from measurements of reflectivity of a paint over the black
and white areas of a reflectance chart.

W
W
R
R
C
0
!

where R
0
is the reflectance of the coating over the black area of the chart and R
W
is the
reflectance of the area over the white area of the chart.

The reflectivity, R
)
, is then calculated. This is defined as the reflectance of a film thick enough
to have the same reflectance over both the black and white areas of the chart.

' (
*
*
+
,
-
-
.
/ # "
" !
# # !
)
0
0
2 / 1
2
2
1
1
WR
R W R
R a
where
a a R
W
W


W is the reflectance of the white area of the chart with no coating.

The spreading rate, H
X
is calculated:

M
AND
H
X
10
!

where A is the area of a defined template, M is the mass of coating contained in the area A, N is
the non-volatile content of the coating, and D is the density of the paint.

The scattering coefficient, S, is calculated next.

*
*
+
,
-
-
.
/
" !
*
*
+
,
-
-
.
/
#
#
!
)
)
)
)
R
R
b
where
R R
R R
b
H
S
X
1
2
1
1
1
ln
2
0
0


The hiding power, H
C
, is then calculated, usually at a contrast ratio of 0.98:

P
S
H
C
!

where

10
*
+
,
-
.
/
#
"
!
b U
b U
b
P ln
2
1

C
C
C C
C
a U
60 . 1
1 1
60 . 1
1
2 / 1
2
#
"
0
0
1
2
3
3
4
5
#
*
+
,
-
.
/ #
" !
*
*
+
,
-
-
.
/
" !
)
)
R
R
a
1
2
1

*
*
+
,
-
-
.
/
# !
)
)
R
R
b
1
2
1



The contrast ratio, C, can also be calculated for a specified hiding power, H:


' ( ' 6 7 ( bP B a bP b a
bP b a
C
coth 80 . 0 1 coth
80 . 0 coth
# # "
# "
!

where

H
S
P !
*
*
+
,
-
-
.
/
" !
)
)
R
R
a
1
2
1

*
*
+
,
-
-
.
/
# !
)
)
R
R
b
1
2
1


For an example consult the ASTM method and the accompanying spreadsheet program.


d. Viscosity

Viscosity is an important property of paint since the viscosity of a paint dictates its application
properties. Numerous methods are used to measure paint and resin viscosity based on different
measurement principles. Conversion of the results of one viscosity measurement to another can
be challenging. If the liquids are Newtonian, interconversion can be carried out through the use
of equations that approximately relate the different viscosities to each other (Patton, 1964).

Absolute Viscosity, 8. Absolute viscosity is the ratio of shear stress to shear rate. A cone and
plate viscometer is the best method for measuring absolute viscosity. Brookfield viscometers
also measure absolute viscosity. The unit for absolute viscosity has traditionally been poise. The
more modern SI unit is mPas. 1 mPas=1 centipoise.

Kinematic Viscosity, 9. Kinematic viscosity is the ratio of the absolute viscosity to the fluid
density. It is commonly determined using a method such as Gardner bubble tubes. The unit of
kinematic viscosity is stokes.
11

Efflux Viscosity. Efflux viscosity is determined by measuring the time that it takes for a specified
volume of coating to exit a cup with a defined orifice size. Common efflux cups are the Ford and
Zahn cups. The unit of efflux viscosity is time, t.

Stormer Viscosity. A Stormer viscometer is a paddle viscometer. The weight (or stress) required
to maintain a 200 rpm paddle speed is determined (W). Then, this is converted into Krebs Units
(KU) using an arbitrary conversion factor.

W W KU log 9 . 3 ) (log 2 . 17
2
# !

Absolute Viscosity from Stormer Weight

) 34 ( 051 . 0 # ! W 8

Absolute Viscosity from Kinematic Viscosity:

%9 8 !

% is the density of the liquid.

Kinematic Viscosity from Ford Cup Viscosity:

16 . 0 0386 . 0 : 4 .
16 . 0 0233 . 0 : 3 .
37 . 0 0159 . 0 : 2 .
# !
# !
# !
t No
t No
t No
9
9
9



3. Resin Related Calculations

a. Correcting for Solvent

Supplier datasheets for solventborne resins and crosslinkers often report functional group
concentration in terms of the total solution rather than on the basis of solid resin. For minimizing
confusion and also for use in calculations as described here, it is important that functional group
concentrations be expressed based on solid resin. This conversion is readily accomplished by
dividing by the concentration.

Example

A polyester resin is reported to have a hydroxyl number of 120 based on solution. The percent
solids of the solution is 87.6. What is the hydroxyl number of the solid resin?

0 . 137
876 . 0
0 . 120
! ! !
lids FractionSo
OHN
OHN
Solution



12
b. Percent Functional Group to Equivalent Weight

Functional group content of a resin or polymer is often given in terms of percent functional
group (e.g. % isocyanate, % hydroxyl, % epoxy). For stiochiometric calculations, it is often
desirable to convert percentage values to an equivalent weight.

Conceptually, percent functional group is the mass of functional group in 100 grams of resin. In
terms of equivalents, this is

100
*
.
x
Weight
e MW
up ctionalGro PercentFun
Group functional Group Func
!
where MW
Func.Group
is the molecular weight of the functional group, e
FunctionalGroup
is the number
of equivalents of the functional group and Weight is the weight of the resin. Molecular weights
of typical functional groups are given in the table below.

Functional Group MW
Func.Group

Isocyanate 42
Hydroxyl 17
Epoxy (terminal) 43
Carboxylic Acid 45

Since the equivalent weight is defined as the mass of resin containing one equivalent of
functional groups, the equation above can be easily rearranged:


up ctionalGro PercentFun
x MW
t alentWeigh GroupEquiv Functional
e
Weight
Group Functional
Group Functional
100
! !



c. Acid Number or Acid Value (AN/AV)

The acid number or acid value of a resin is defined as the milligrams of KOH required to
neutralize the acid groups in 1 gram of resin solids. The acid number is a characteristic of the
resin, therefore, it is defined on resin solids, not on solution. (It should be noted, however, that
many resin suppliers often report acid number on total solution.)

Acid number can be determined from acid equivalents:

Wt
e
AN
a
56100 *
!

where e
a
is the acid equivalents, Wt is the weight of the resin solids, and 56100 is the
milliquivalent weight of KOH. It is easily determined by titration according to ASTM D1639.


13
d. Acid Equivalents

Often, it may be useful to determine the number of acid equivalents in a resin sample. This is
easily done by rearranging the acid number equation above:

56100
*Wt AN
e
a
!

Example

How many acid equivalents are in 340 grams of a resin sample having an acid number of 12?

s equivalent
Wt AN
e
a
0727 . 0
56100
340 * 12
56100
*
! ! !


e. Carboxyl Equivalent Weight

The carboxyl equivalent weight is the mass of resin per acid equivalent and can be easily derived
from the acid number relationship above:

AN e
Wt
Wt COOHEq
a
56100
. . ! !

This equation is useful in calculating stoichiometric relationships.

Example

What is the carboxyl equivalent weight of a resin that has an acid number of 120?

nt g/equivale 5 . 467
120
56100 56100
. . ! ! ! !
AN e
Wt
Wt COOHEq
a



f. Hydroxyl Number (OHN)

The hydroxyl number is defined just like acid number, but based on hydroxyl equivalents. Thus:

Wt
e
OHN
b
56100 *
!

where e
b
is the number of hydroxyl equivalents and Wt is the weight of the resin. Hydroxyl
number can be determined by titration, however, the methods used are highly error-prone and
often unreliable. If the number of equivalents of hydroxyl groups on a resin is known, then the
hydroxyl number can be calculated.

14
Example

An acrylic resin contains 0.80 hydroxyl equivalents in each 100 grams. What is the hydroxyl
number?

8 . 448
100
56100 * 80 . 0 56100 *
! ! !
Wt
e
OHN
b



g. Hydroxyl Equivalents

It is often useful to determine the number of hydroxyl equivalents in a resin sample having a
known hydroxyl number. The hydroxyl number equation can be rearranged as follows:

56100
*Wt OHN
e
b
!

Example

How many hydroxyl equivalents are in 223.5 grams of an acrylic resin having a hydroxyl
number of 450?

s equivalent 80 . 1
56100
225 * 450
56100
*
! ! !
Wt OHN
e
b



h. Hydroxyl Equivalent Weight (OH Eq. Wt.)

The hydroxyl equivalent weight of a resin is the mass of resin containing one hydroxyl
equivalent. This is another relationship that can be useful in calculating stoichiometry.


OHN e
Wt
Wt OHEq
b
56100
. . ! !

Example

What is the hydroxyl equivalent weight of a resin that has a hydroxyl number of 225?

nt g/equivale 249
225
56100 56100
. . ! ! ! !
OHN e
Wt
Wt OHEq
b


i. Percent Hydroxyl (% OH)

The percent hydroxyl is the weight of hydroxyl in 100 grams of resin. It is defined:

15
100 *
. .
17
100 *
.
17
100 *
sin Re
%
Wt OHEq
Wt
xe
Wt
WtOH
OH
b
!
!
!


Results from the determination of hydroxyl content are often given as percent hydroxyl. Thus,
conversion of percent hydroxyl values into more meaningful units is usually required.
Rearranging the equation above yields:

OH
Wt OHEq
%
100 * 17
. . !

Example

The lab returns a sample and reports that the hydroxyl content is 2.3 percent. What is the
hydroxyl equivalent weight and hydroxyl number of the resin?

nt g/equivale
OH
Wt OHEq 739
3 . 2
100 * 17
%
100 * 17
. . ! ! !

3 . 2 * 33 % * 33 ! ! OH OHN


j. Amine Value

Primary, secondary, or tertiary amines may be present in a sample of an amine functional resin.
It is critical, therefore, that amine value be reported either as total amine value (the sum of all the
amine types) or as either primary, secondary, or tertiary. Amine value is defined on KOH
milliequivalents (as is acid value, and hydroxyl value). Thus,

.
56100
Wt
e
AmV
amine
total
:
!

where AmV
total
is the total amine value, e
amine
is the total equivalents of amine in the material, and
Wt. is the weight of sample. For primary, secondary, or tertiary amines, substitute the appropriate
number of equivalents in the formulation. For more information on conducting the measurement,
consult ASTM D 2073.


k. Amine Equivalent Weight

For stoichiometric calculations, the amine equivalent weight is a more useful value. The
equivalent weight is the weight of material containing one amine equivalent,

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AmV e
Wt
AmEqWt
amine
56100
! !

l. Epoxy Content

The ASTM method for determination of epoxy content in epoxy resins, D 1652, describes two
different test methods and three different ways of reporting the results.

Epoxy content, E, is reported as gram equivalents of epoxy groups in 100 g resin. This is the
same as weight percent epoxide. (The molecular weight of a terminal epoxide is 43.) In terms of
epoxy equivalents, this is:

100 *
sin Re .
* 43
Wt
e
E
epoxy
!

Percent Oxirane Oxygen, O, is the weight percent oxygen incorporated into epoxy groups:

100 *
sin Re .
* 16
Wt
e
O
epoxy
!


Weight per epoxy equivalents (WPE) is the grams of resin containing 1 equivalent of epoxy
groups and is the same thing as epoxy equivalent weight (EEW):

epoxy
e
Wt
WPE
sin Re .
!


m. Isocyanate Content

As in the other calculations, isocyanate content may be given in terms of either percent
isocyanate or isocyanate equivalent weight.

g
e
NCO
NCO
100
* 42
% !

NCO
Wt NCOEq
%
100 * 42
. . !


n. Stoichiometric Calculations

Many thermosetting coating systems involve reactions of mutually reactive functional groups.
Isocyanates react with hydroxyl groups to form polyurethane coatings. Epoxy groups may be
reacted with amine or carboxylic acid functional crosslinkers.

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The relative amounts of the reactive functional groups must be properly balanced to achieve the
optimum level of properties. This balancing of the functional groups is known as stoichiometry.

Stoichiometry calculations require that the equivalent weight of the functional group be known
for each component. The equivalent weight is defined as the mass of material containing one
equivalent of functional groups. Mathematically it is defined as follows:

M
e
EW
i
i
!

where e
i
is the number of equivalents of the functional group and M
i
is the mass of the polymer
or oligomer. The supplier of the material generally provides this information. Alternatively, it
can be calculated from functional groups percents or numbers using the relationships described
above.


Exact Equivalence

In order to state things in a general sense, two materials having functional groups A and B will
be considered. To calculate a formulation based on stoichiometry, the number equivalents of
component A must first be determined. This is easily done using the equivalent weight of the
functional group. If the equivalent weight isnt given, one of the equations already discussed to
turn a percent or number value into the equivalent weight can be used.

a
a
a
e
EW
M
!
) (



For balanced or equivalent stoichiometry the equivalents of B groups must equal the equivalents
of A groups.

a b
e e !

Now, the mass of the resin containing the B groups can be calculated from the equivalent weight
of the B groups.

b b b
EW e M *
) (
!

Equivalent Ratios

Often, a different ratio of the functional groups is desired. Thus, the formulation will be based on
a specific ratio of, say, B groups to A groups, R
b/a
. Thus, the equation is modified to include this
ratio.

a a b b
e R e *
/
!

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Example Calculation

As an example consider a typical two-component urethane coating. The components consist of
an acrylic polyol with a hydroxyl equivalent weight of 654 g/equivalent and an isocyanate
crosslinker with an isocyanate equivalent weight of 195 g/equivalent. The desired stoichiometric
ratio is 1.1 equivalents of isocyanate per hydroxyl equivalent.

Start off by choosing a weight for one of the components. For this example, we will use 50
grams of the acrylic polyol. Then, the hydroxyl equivalents can be calculated:

0764 . 0
/ 654
0 . 50
! !
equiv g
g
e
OH


Using the equivalent ratio of 1.1, the number of equivalents of isocyanate required can be
calculated:

0840 . 0 0764 . 0 * 1 . 1 ! !
NCO
e

And, finally, the weight of isocyanate crosslinker can be calculated:

g EW e M
NCO NCO NCO
38 . 16 195 * 0840 . 0 * ! ! !


More Complicated Scenarios

Often polymer systems used in coatings are more complex than the case we have considered
above. Mixtures of reactants are used and care must be taken to add up the concentrations of the
functional groups. For example, mixtures of polyols are often used in the formulation of two
component urethane coatings. In order to determine the amount of isocyanate crosslinker to use,
the total equivalents of hydroxyl groups should be added together before the amount of
isocyanate is calculated.


4. Other Relationships

a. Relative Humidity

The relative humidity is the ratio of moisture vapor in air relative to the water vapor saturation
level. The water vapor saturation level for any air mass is related to the temperature of the air.
Thus the absolute amount of water in the air is also dependent on the air temperature.

An empirical model for the level of water vapor as a function of temperature is given by the
following equation:

3 4 2 3
10 1243 . 3 10 1847 . 8 32321 . 0 018 . 5 T x T x T VD
# #
" " " !

where VD is the saturated vapor density in g/m
3
and T is the temperature in Celsius.

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Relative humidity can then be calculated:

100
density vapor actual
x
VD
RH !

Examples

If the ambient temperature is 22C what is the saturation vapor density?

3
3 4 2 3
3 4 2 3
/ 417 . 19
22 10 1243 . 3 22 10 1847 . 8 22 * 32321 . 0 018 . 5
10 1243 . 3 10 1847 . 8 32321 . 0 018 . 5
m g
x x x
T x T x T VD
!
" " " !
" " " !
# #
# #



b. Dew Point

The dew point is the temperature to which the air must be cooled to reach water vapor saturation.
If the relative humidity and temperature is known, the actual water vapor content of the air can
be determined. The dew point can then be calculated using the vapor density equation.

Example

If the relative humidity is 60 percent, what is the dew point?

First, calculate the actual vapor density:

3
/ 650 . 11
100
417 . 19 * 60
100
Density Vapor Saturation *
Density Vapor Actual
m g
RH
! !
!

Now, we have to find the temperature that corresponds to 11.650 g/m3 vapor density. That will
be the dew point. An easy way to find the dew point is to use the Goal Seek function in Excel.


5. Spreadsheet Programs

There are two accompanying Excel spreadsheets that implement many of these calculations.
These spreadsheets were developed using Excel 2000 that was included in Office 2000. (Office
2000 was released with Windows 98SE.) The programs should be compatible with any future
versions of Excel. Because they take advantage of Visual Basic for Applications that was
significantly changed in Excel 2000, they will not be compatible with earlier versions of Excel.

Quick Calculations

The first spreadsheet contains a collection of calculations that have been discussed in this guide.
To start the program, open the file quickcalcs##.xls either from Excel or by double clicking on
the file name. If a dialog box appears that warns of macros, click Enable Macros. You must
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enable macros in order for the spreadsheets to work properly. You will also have to agree to the
terms of use in order to use the spreadsheets.

The spreadsheet will open in the main worksheet unless it has been saved when a different
worksheet was displayed. If so, click on either the Main tab at the bottom of the workbook or
the Return to Main control button on the sheet to return to the main worksheet.

On the Main Worksheet, worksheets can be selected to do the following calculations:

Temperature
VOC Units
Hydroxyl Units
Functional Group Units
Stoichiometry
Coating Coverage
Hiding and Spreading Rate
Viscosity Conversions
Dew Point

There are instructions on each individual sheet regarding how to enter data. The worksheets and
workbook are protected so that you cant enter a value in a field that will result in something
bad happening. Since this spreadsheet is primarily for educational use, you are free to unprotect
the worksheets and workbook and explore how the calculations are done. Note that some of the
worksheets make use of Visual Basic code. Of course, once you start making modifications, you
are on your own.

Simple Coating Formulator

A simple coating formulation program is also provided. To begin, open the file
formulator##.xls either from Excel or by double clicking on the file name. Click Enable
Macros on the dialog box, if one appears. You must enable macros in order for the spreadsheet
to work properly. You will also have to agree to the terms of use to use the spreadsheet.

This spreadsheet lets you enter simple coating formulas and obtain key paint formulating
information. A database is provided for storing raw materials and their data. Click on the
Database button to bring up a dialog box that will let you transfer raw materials from the
database to the formulation and remove raw materials from the formula.

To manage the database of raw materials, click on Edit Database at the bottom of the Database
dialog box. A new dialog box will appear that will let you add items to the database, remove raw
materials and sort the database list. See below for entering information into the database.

Enter the amounts of the raw materials in the formulation using the Weight column in the
spreadsheet. Then, click on the Scale control button to scale the formulation either up or down
to a target value. You can also switch between English and SI Units using the Change Units
control button.

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The spreadsheet is protected. That is, if you attempt to enter values in cells other than the raw
material weight, you will get an error message. You can unprotect the worksheet if you want to
explore the inner workings and make modifications, but at this point you are on your own!

Specifying Raw Materials

The raw material data must be entered correctly to obtain the correct results. Here are the items
that you will need to enter:

Raw Material Name: Whatever you want to call it. Raw materials are required to have a name.
Percent Solids: The overall solids content expressed as weight percent.
Density: The density of the total raw material in lbs/gal.
Type: Select the raw material type from the drop-down box: Resin, Solvent, Pigment, Additive,
or Catalyst
Solvent Density: The density of the solvent portion of the raw material. If the material is a
solvent, this will be the same as the density of the raw material. You can enter zero for a 100%
solid material. Solvent density must be entered in lbs/gal.
Percent Water: The percentage of the raw material that is water.
Percent Exempt: The percentage of the raw material that is exempt solvent (not including water).
Functional group: Choose the functional group from the drop-down box: Hydroxyl, isocyanate,
amine, epoxy, carboxyl
Equivalent Weight: The equivalent weight of the resin in grams/equivalents



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