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Procedure
Sweet Briar College
advisor: Dr. Michael Misovich
Hope College
1. First, we created a Maple 9* program to gather numerical data for a wide range of temperatures and
acentric factors using an iterative regula falsi method.
2. In order to simplify our calculations by eliminating units, we used reduced variables. These are simply
the ratio of the variables value to its value at an identified point; usually this point was the critical point.
liquid.
4. Instead of directly using SRK, we used the fugacity equation for SRK. First, we found that the vapor
fugacity was equal to zero. Then, because we are working with vapor-liquid equilibrium, we could equate liquid
and vapor fugacities. This gave us the useful knowledge that all the indeterminate forms in the liquid fugacity
equation must cancel each other.
0 0 a
ln( )
P
RT
1 ln(
P
RT
) ln(1 b )
a
bR
ln(1 b ) ln( L ) 1 ln( ) ln(0)
0 0 bR
ln(2) 0
5.From this knowledge, we derived equations for P and L which matched our numerical results for
low temperatures very well.
Results lim L
1
L1Tr
The vapor and liquid densities behave differently from each Tr 0 b
other in the low temperature limit. We found that the liquid
Where:
density follows this function
2 RTc
Where: C ao ln( 2)(1 f ( w)) 2 L1
C1 C2 1
bo a (1 f ( w)) 2
lim (ln Pr ) 1 C3 2 ao ln( 2) f ( w)(1 f ( w))
Tr 0 Tr Tr 2 C 2
bo
ao ln(2) f ( w) 2
C 3
ln( L1/ )
bo
ln(bo )
Both the temperature and the vapor pressure approach zero in the low
temperature limit. We found their relationship .
ao 0.42747
T,P. 0.08664 RTc
b Pc
bo 0.08664
b
A Cubic Equation of State h
2 RTc
L1 a (1 f ( w)) 2
Pc Critical Pressure
Three real roots-- R Gas constant
Liquid, Vapor, and Reduced Variable (ex: A variable divided by its
undefined T r) value at the critical point
T Temperature (K)
One real root -- Vapor Tc Critical Temperature
V Volume per mole
P
Volume Z RT
(1 f ( )(1 Tr )) 2
Fugacity coefficient
A cubic EOS is an equation of state which is in the Density per mole
form of a cubic equation in volume. These are the Acentric factor
f() 0.480 1.574 0.176
type which can predict 3 volumes for a certain T
and P. Another example of a cubic equation of state
besides SRK would be the Van der Waals equation Acknowledgements
Id like to thank the National Science
or the Peng Robinson equation. Foundation for sponsoring me,
Hope College for having me, and all those
who contributed to my work, particularly
What is SRK for? Dr. Michael Misovich, Kurtis Blohm, and Matthew
Goetz
Soave-Redlich-Kwong is most commonly used in
chemical engineering applications, around
temperatures close to the critical temperature,
involving phase equilibrium. *Maple 9 is a registered trademark of Waterloo Maple Inc.