Programs for Polymer and Coating
Formulation Design 
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Polymer Synthesis 

Acrylic and Vinyl Polymer, Tg
of copolymer with as many six monomers. As input the weight amount of
comonomer is required. Output is in degree Kelvin and Centigrade. More
than 120 monomers can be selected. If you are interested in a monomer
not listed, let me know and I can modify the program 
Fox Equation 
Tg, solubility parameter,
viscosity and density of polymers and oligomers can be calculated
using an using cohesive energy approach according to Feddors. 
Cohesive
energy 
Tg, solubility parameter,
cohesive energy, specific gravity and viscosity from polymer
segments can be calculated using the method according to Krevelen. 
Krevelen 
Polyester synthesis from
polyols, carboxylic acids and lactones. Weight charges, molecular weight
and functionality of the resulting polyol are calculated as a function
of conversion and loss of polyol 
Polyester 
Polymer Properties 

Crosslink density
calculation from swelling measurements using the FloryRehner
equation. More than 400 solvents and reactants can be selected for the
swelling calculation. Dichloromethane (methylene chloride) is a solvent
of choice for this measurement and give very fast swell results. Some
higher boiling and more viscous solvents might need extensive times to
reach swelling equilibrium. 
Swelling 
Molecular weight from
osmotic pressure measurements. Osmotic pressure of polymer solutions can
be used to calculated the number average molecular weight of polymers. 
Osmotic
pressure 
ViscositySolids
relationship of a polymer solution. The viscosity of a polymer
solution can be calculated from two data points using the assumption
that the glass transition temperature (Tg) of a polymer decreases linear
with the weight fraction of added solvent. 
Viscositysolids 
Viscosity of a polymer melt
or solution over a temperature range. The William Landel Ferry
equation (WLF) permits the calculation of the viscosity of a polymer
melt or solution more accurate then the Arrhenius equation. 
Viscositytemperature 
Viscosity of a blend of up
to four polymer melts or solutions. This program utilizes the William Landel Ferry
equation (WLF) in conjunction with the Fox equation to calculate the
viscosity of polymer blends at different temperatures. It is assumed
that no specific interaction between the polymers is taking place and
that the polymers are compatible. As input polymer viscosity,
temperature and nonvolatile is required. 
Viscosityblends 
Viscosity of a blend of
polymer solutions. A combination of the WLF, Fox equation is used to
calculate the viscosity of blends of two polymer solutions. As input two
viscositysolids data points of each polymer solution is required. The
program permits to calculate the viscosity at any solids and temperature
and mix ratio of the two polymer solutions. 
Viscosity
polymer solutions 
Formulation 

Dispersant demand of spherical
particles. Calculates the demand of dispersants as a function of
particle diameter and thickness of the absorption layer. 
Dispersant
spherical 
Dispersant demand of
elongated particle (prolate ellipsoid). Calculates the dispersant
demand of an elongated particle. 
Dispersant
elongated 
Volume & Surface Area
of Particles and Number of Molecules. This program calculates the
volume, weight and number of molecules in a spherical particle and the
surface layer. 
Volume
surface 
Volume & Surface Area
of Particles and Number of Molecules. This program calculates the
volume, weight and number of molecules in a spherical particle and the
surface layer, both the particle and the shell can be swollen with a
solvent. 
Volume
swollen 
Sedimentation (settling) of
particles. The Stokes equation permits the estimation of settling
speed of spherical particles at a viscous liquid at low Reynolds
numbers. 
Sedimentation 
Sagging of a liquid film as
a function of film thickness and viscosity. Coating films on
vertical surfaces sag as a function of viscosity, film thickness and
gravity. 
Sagging 
Flow and leveling of
coatings. Most application processes result in coating which have a
wavy surface and require leveling to achieve the desired appearance. The
Orchard equation permits the calculation of leveling of a coating film
as a function of striation, film thickness, viscosity and surface
tension. 
Leveling 
Viscosity of pigmented
polymers. The Mooney equation permits the calculation of the
viscosity of pigmented polymer solutions or polymer melts as a function
of the volume fraction of pigment. The viscosity of flocculated and
unflocculated systems can be calculated the effect of an adsorbed resin
layer can also be considered. As input into the equation the
viscosity characteristics of as many as four polymer solutions or melts
can be used. The constants used are for spherical pigment particles and
can be adjusted for nonspherical pigments. 
Viscosity
pigmented polymer 
Viscosity of pigmented
polymers. This program is an expansion of above Mooney equation
which permits the selection of up to 4 different pigments. Because of
the potential for increased packing of spheres the program will not work
with
pigments with large difference in particle size. 
Viscosity
pigmented polymer up to 4 pigments 
Solvent
properties 

Solvent properties. Find
the CAS #, boiling point, molecular weight, density, refractive index,
vapor pressure and flash point of more than 400 solvents. 
Solvents 
Solvent selection. Select
a solvent based on desired boiling point and increments in boiling point 
Solvent
selection 
Solvent selection. Select
a solvent based on desired boiling point and solubility parameter 
Boiling
Point, Solubility 
Vapor pressure of a solvent.
Calculate the vapor pressure and boiling point of a solvent based on the
Antoine equation which is derived
from the ClaussiusClapeyron equation 
Vapor
pressure 
Vapor pressure of a blend
up to four solvents. Using the Antoine equation and Raoult's
law this program calculates the vapor pressure of as many of four
solvents at different temperatures. It also determines the composition
of the vapor phase. The accuracy of the method depends how
"ideal" the solvent properties are. 
Vapor
pressure solvents 
Last edited on:

August 20, 2010

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