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Lectures # 32 to 34
Last Lectures
Instructional Objectives
Know the data needed in the EOS to evaluate
fluid properties
Know how to use the EOS for single and
multicomponent systems
Evaluate the volume (density, or z-factor)
roots from a cubic equation of state for
RT a
P
V b V (V b) b(V b)
P Prep Pattr
PV Phase Behavior
Pressure-
Tc volume
CP
behavior
indicating
Pres sure
isotherms for
T2 a pure
component
v
P
1 system
T1
L
2 - P has es
V
L V
Mo lar V olum e
Equations of State (EOS)
P
0
V Tc
P
2
2 0
V Tc
Equations of State (EOS)
RT 2 2 RTc
a a c and b b
Pc Pc
Equations of State (EOS)
Where a 0.45724
b 0.07780
and
1 m 1 Tr
2
with
CP
Pres sur e
T2
4
T1
v 3 A2 5
P 1
1 -
L A1 1
10 P
~ >0 2 V
0 V T
2 - P has
hases
2
L V
7
Mo la r V o lum e 6
Equations of State (EOS)
Z ( B 1) Z
3 2
( A 3B 2 B ) Z
2
( AB B B ) 0
2 3
a P
A
RT 2
with
bP
B
RT
Equations of State (EOS)
a m xi x j ai a ji j 1 k
Nc Nc
ij
i 1 j 1
kij k ji
kii 0
Linear MR for b
Nc
bm xibi
i 1
Example
x32 a3 3
a m P bm P
Am Bm
RT
2
RT
Analytical Solution of Cubic
Equations
The cubic EOS can be arranged
into a polynomial and be solved
analytically as follows.
Z ( B 1) Z
3 2
( A 3B 2 B ) Z
2
( AB B B ) 0
2 3
Analytical Solution of Cubic
Equations
Lets write the polynomial in the
following way
x a1x a2 x a 0
3 2 3
a3 ( AB B B )2 3
Procedure to Evaluate the Roots
of a Cubic Equation Analytically
Let 3a2 a 2
Q 1
9
9a1a2 27 a3 2a1
3
R
54
S R Q R
3 3 2
T R Q R
3 3 2
Procedure to Evaluate the Roots
of a Cubic Equation Analytically
where R
cos
Q3
Procedure to Evaluate the Roots
of a Cubic Equation Analytically
x1 x2 x3 a1
x1 x2 x2 x3 x3 x1 a2
x1 x2 x3 a3
where x1, x2 and x3 are the three
roots.
Procedure to Evaluate the Roots
of a Cubic Equation Analytically
http://www.uni-koeln.de/math-nat-
fak/phchem/deiters/quartic/quartic
.html contains Fortran codes to
solve the roots of polynomials up to
fifth degree.
Web site to download Fortran source
codes to solve polynomials up to fifth
degree
EOS for a Pure Component
CP
Pres sur e
T2
4
T1
v 3 A2 5
P 1
1 -
L A1 1
10 P
~ >0 2 V
0 V T
2 - P has
hases
2
L V
7
Mo la r V o lum e 6
Parameters needed to solve
EOS
Tc, Pc, (acentric factor for some
equations I.e Peng Robinson)
Compositions (when dealing with
mixtures)
Specify P and T determine Vm
Specify P and Vm determine T
Specify T and Vm determine P
Tartaglia: the solver of cubic
equations
http://es.rice.edu/ES/humsoc/Galileo/Catalog/Files/tartalia.html
Cubic Equation Solver
http://www.1728.com/cubic.htm
Equations of State (EOS)
yi i l
Ki v
xi i
Dew Point Calculations
l
xii P yii P
v
(i = 1, 2, 3 ,Nc)
x
i 1
i 1, y
i 1
i 1, z
i 1
i 1
Dew Point Calculations
At the dew-point
xii zii
l v
xi K i zi (i = 1, 2, 3 ,Nc)
Dew Point Calculations
Nc
z K
i 1
i i 1 0
Flash Equilibrium Calculations
P
RT
i Vi
v
RT ln dP
0
P T fixed
Evaluation of Fugacity Coefficients
and K-values from an EOS