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EOS Method
1- Vapor-Liquid Equilibrium
fi fi
v
At Equilibrium:
Where
Therefore
f i yi Pt
v
v
i
fi x P
l
yi
k
xi
vl
i
l
i
v
i
l
i i t
EOS Method
2- Liquid-Liquid Equilibrium
fi fi
l1
At Equilibrium:
Where
Therefore
fi x P
l1
l1 l1
i i t
l1l 2
i
l2
f i x Pt
l2
l1
i
l2
i
l2
i
l1
i
l2
i
l2
i
EOS Method
3- Vapor-Liquid-Liquid Equilibrium
At Equilibrium:
fi fi fi
l1
l2
f i x P , f i x Pt
v
f i yi Pt
l1
Where
Therefore
vl1
i
l1 l1
i i t
v
i
yi
l1
xi
l1
i
v
i
l2
, k
l2
i
vl 2
i
l2
i
yi
l2
xi
l2
i
v
i
EOS Method
4- Fugacity Coefficient Formula
1
ln i
RT
n
i
T ,V , n j
RT
dV ln Z m
EOS Method
5- Standard RK-SOAVE
RT
a
P
Vm b Vm (Vm b)
Where
R 2Tci2
RTci
ai i 0.42747
, bi 0.08664
Pci
Pci
EOS Method
6- Standard PENG-ROB
RT
a
P
Vm b Vm (Vm b) b(Vm b)
Where
R 2Tci2
RTci
ai i 0.45724
, bi 0.07780
Pci
Pci
i (T ) [1 mi (1 Tri0.5 )]2 , mi 0.37464 1.54226i 0.26992i2
EOS Method
7- Advantages and Disadvantages
Equations of state can be used over wide ranges of temperature
EOS Method
7- Advantages and Disadvantages
Equations of state are suitable for modeling
At Equilibrium:
Where
Therefore
f i v iv yi Pt
f i l i xi f i *,l
yi i f i
k v
xi
i Pt
vl
i
*,l
At Equilibrium:
Where
Therefore
fi x fi
l1
l1 l1
i i
l1l 2
i
*,l
l2
fi x fi
l1
i
l2
i
l2
l2
i
l1
i
l2
i
l2
i
*,l
Where
fi fi fi
l1
l2
fi x fi
, fi x fi
v
v
f i i yi Pt
l1
Therefore
vl1
i
l1 l1
i i
l2
*,l
yi f i
l1 v
xi
i Pt
l1
i
*,l
, k
l2
i
vl2
i
l2
i
*,l
yi f i
l2 v
xi
i Pt
l2
i
*,l
fi
*,l
(T , Pi ) Pi , ( i 1 as xi 1)
*,v
i
*,l
*,l
*,l
i
*,l
i
1
exp
RT
Pi
*,l
V
*,l i dP
f i xi f
l
where
f i *,l H i
* *,l
i i
and
i* 1 as xi 0
x G
x G
j
ln i
ji
ki
ji
x j Gij
x G
k
kj
ij
x G
x G
m mj
mj
kj
x G
j
ln i
ji
Where
ki
ji
x j Gij
x G
k
kj
ij
x G
x G
m mj
mj
kj
, ii 0
ij cij d ij (T 273.15)
The binary parameters aij, bij, cij, dij, eij and fij can be determined from
VLE and/or LLE data regression. The Aspen Physical Property System
has a large number of built-in binary parameters for the NRTL model.
(below 10 atm).
the literature.
3. Estimate
or obtain binary
experimental data if necessary.
parameters
from
thermo model.
Figure 1
Polar
See Figure 2
E?
Electrolyte NRTL
Or Pizer
Electrolyte
Real
All
Non-polar
Peng-Robinson,
Redlich-Kwong-Soav
Lee-Kesler-Plocker
R?
Polarity
R?
Real or
Pseudo &
pseudocomponents
P?
Pressure
E?
Electrolytes
Real
P?
Vacuum
Chao-Seader,
Grayson-Streed or
Braun K-10
Yes
Yes
Figure 2
LL?
P < 10 bar
ij?
(See also
Figure 3)
P?
NRTL, UNIQUAC
and their variances
WILSON, NRTL,
UNIQUAC and
their variances
No
Yes
No
LL?
Polar
Non-electrolytes
No
Yes
LL? Liquid/Liquid
P?
Pressure
ij?
Interaction Parameters
Available
P > 10 bar
UNIFAC LLE
ij?
No
Schwartentruber-Renon
PR or SRK with WS
PR or SRK with MHV2
PSRK
PR or SRK with MHV2
Hexamers
Figure 3
Yes
DP?
Dimers
VAP?
Wilson
NRTL
UNIQUAC
UNIFAC
VAP?
DP?
No
E?
Polarity
R?
Real or
pseudocomponents
P?
Pressure
E?
Electrolytes
See Figure 2
Figure 2
Yes
P < 10 bar
ij?
(See also
Figure 3)
P?
Polar
Non-electrolytes
LL? Liquid/Liquid
P?
Pressure
ij?
Interaction Parameters
Available
LL?
WILSON, NRTL,
UNIQUAC and
their variances
No
No
LL?
No