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ApplicationoftheSRKEOS PDF
ApplicationoftheSRKEOS PDF
ApplicationoftheSRKEOS PDF
Journal of Chemical Engineering of Japan, Vol. 40, No. 6, pp. 534538, 2007
1.
RT
a
V b V (V + b )
(1)
where
RT
b = 0.08664 c
Pc
a = 0.42748
Tr =
( RTc )2
Pc
(2 )
[1 + m(1 T )]
T
Tc
(3)
In the same figure, one can read the vapor pressure as well as the liquid and gas molar volumes at
different temperatures using the bold dots. These pure
component properties are found by imposing that the
two shaded areas in Figure 2 are equal; the
Mathematica syntax for such operation is the following:
( 4)
and
(5)
534
Fig. 1
Fig. 3
where
C
A=
yi y j Aij
i =1 j =1
Aij = Ai Aj
0.5
sat
2.5688210 3
= exp 44.0103
4.97635 ln(T ) + 1.4644710 5 T 2 100
T
(6)
with T in K and Psat in bar.
2.
The binary mixture composed of ethane and benzene exhibits peculiar vaporliquid isothermal equilibrium diagrams because of the large difference in
volatility of these two components. The liquid and
vapor mole fractions are related by
yi = Ki xi
i = 1 or 2
x B
or
Z 3 Z 2 + Z A B B 2 AB = 0
Pri
2
ri
Bi = 0.08664
and
Pri
Tri
(12)
Ki =
li
vi
(13)
for i = 1 to C
where
B
vi = exp Zvi 1 i ln Zvi B
(8)
(11)
i =1
Ai = 0.42747ai
(7)
(10)
ij
i =1
Fig. 2
( 9)
ij
) (1 k )
y B
i
i =1 j =1
B=
x x A
or
A 2 Ai0.5 Bi Zvi + B
ln
B A 0.5
B Zvi
(14)
Fig. 4
Fig. 5
The Mathematica (Wolfram Research, Inc.) command that allows the computation of phase envelops
of different ethane-benzene mixtures is the following:
Fig. 6
536
Table 1
5.
Component
zi
Tci [K]
Pci [bar]
Methane
Ethane
Propane
i-Butane
n-Butane
i-Pentane
n-Pentane
n-Hexane
C7 +
0.0000
0.0012
0.0012
0.0117
0.0117
0.0117
0.0235
0.3521
0.5869
191.056
305.556
369.944
408.094
425.167
460.400
469.778
507.900
563.606
45.8016
48.2989
42.0114
35.9989
37.4728
32.9001
33.3084
29.9197
29.0746
0.0000
0.1064
0.1538
0.1825
0.1954
0.2104
0.2387
0.2972
0.3289
vaporliquid coexistence pressure is a function of temperature only and is called vapor pressure. The vapor
phase fraction, , is set equal to zero. The unknowns
in this problem are the mole fractions in both phases
as well as the TVP. We have 21 nonlinear algebraic
equations to solve simultaneously. These equations are
eight equilibrium relations, eight component mass balances, two summation rules, two cubic equations of
the compressibility factors and the famous Rachford
and Rice equation given by:
c
zi ( Ki 1)
1 + (K
i =1
1)
=0
(15)
It is the authors experience that teaching and understanding applied thermodynamics can be very tedious and abstract if the lectures do not show how results of a flash distillation, phase envelops or vapor
liquid diagrams can be obtained. This usually involves
solving non-linear algebraic equations which is readily performed by the built-in Mathematica (Wolfram
Research, Inc.) function, FindRoot which uses either
the secant or Newtons method. Little programming
skills are required by the student who gets acquainted
with the basic Mathematica (Wolfram Research, Inc.)
commands in few days (Wolfram, 1988). This computer algebra can be used in other chemical engineering
problems such as fluid mechanics, heat transfer and
chemical reaction engineering. Dr Binous (Binous,
2006b) has also performed with his student, Zakia
Nasri, similar computations using Matlab (The
MathWorks, Inc.). However, it is the authors opinion
that Mathematica (Wolfram Research, Inc.) has more
advantages than Matlab (The MathWorks, Inc.) for
such simple educational problems. For instance one can
write complicated equations such as the Rachford and
Rice equation in a straight forward manner with
Mathematica (Wolfram Research, Inc.).
Conclusion
equilibrium constant
critical pressure
reduced pressure
vapor pressure
critical temperature
reduced temperature
liquid mole fraction
vapor mole fraction
compressibility factor
mole fraction in the feed
l, v
We find a TVP = 0.352 bars. TVP is an important parameter in the stabilization of gasoline for safe storage
and transport. In fact, the ratio of the TVP to the reid
vapor pressure (RVP) is approximately 1.05. RVP is
an experimental measure of the vapor pressure at
37.8C. RVP values less than atmospheric pressure are
required because of safety, environmental and economic considerations.
=
=
=
[bar]
[bar]
[K]
537
Literature Cited
Binous, H.; Mathematica Information Center, http://
library.wolfram.com/infocenter/search/
?search_results=1;search_person_id=1536 (2006a)
Binous, H.; Matlab File Exchange Center, http://
w w w. m a t h w o r k s . c o m / m a t l a b c e n t r a l / f i l e e x c h a n g e /
loadAuthor.do?objectType= author&objectId=1093893 (2006b)
Prausnitz, J. M., R. N. Lichtenthaler and E. G. deAzevedo; Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd ed.,
538