Evaluation of Pure Component Fugacity (f), and Coefficient Fugacity ()
Find pure component fugacity (f) and coefficient fugacity () of Hydrogen at 0oC temperature and 960
atm pressure
1. Evaluation of Pure Component Fugacity (f) and Coefficient Fugacity () from compressibility data
Data requirement for this case is compressibility data at least from 0 pressure until 960 atm pressure
which the compressibility data must evaluate at same temperature (0oC)
P (atm)
100
200
300
400
500
Z
1.069
1.139
1.209
1.283
1.356
P (atm)
600
700
800
900
1000
Z
1.431
1.504
1.577
1.649
1.72
Coefficient Fugacity () can evaluate from equation
ln() =
( 1)
= ()
1
ln() is area of bellow curve from P=0 until P=P (P=960 for this case). The y axis curve is
(1)
and x axis
curve is P.
(atm)
Almost 0
100
200
300
400
500
600
700
800
900
1000
Almost 1
1.069
1.139
1.209
1.283
1.356
1.431
1.504
1.577
1.649
1.72
( )
Equal to 0.000000
0.000690
0.000695
0.000697
0.000708
0.000712
0.000718
0.000720
0.000721
0.000721
0.000720
Page 1 of 8
0.000800
0.000700
0.000600
1
2
1
1
1
3
1
4
1
5
1
6
1
7
1
8
1
9
0.000500
(Z-1)/P
1
0
0.000400
0.000300
0.000200
1
0.000100
0.000000
100
200
300
400
500
600
700
800
900 1000 1100
no
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
x axis
length
50
50
50
50
50
50
50
50
50
50
50
50
50
50
50
50
50
50
60
y axis length
Area
0.0002
0.00055
0.0007
0.0007
0.0007
0.0007
0.0007
0.00071
0.00071
0.00071
0.00071
0.00071
0.00072
0.00072
0.00072
0.00072
0.00072
0.00072
0.00072
0.01
0.0275
0.035
0.035
0.035
0.035
0.035
0.0355
0.0355
0.0355
0.0355
0.0355
0.036
0.036
0.036
0.036
0.036
0.036
0.0432
= 0.6492
ln() =
ln() = 0.6492
= 0.6492
= .
=
= 1.9140 960
=
Page 2 of 8
2. Evaluation of Pure Component Fugacity (f) and Coefficient Fugacity () from virial equation
Data requirement for this case is acentric factor (), Critical Temperature ( ), and Critical Pressure ( ).
For Hydrogen:
= 33.2
=
= 13
960
960
=
=
= 74.8246
13
12,83
0 = 0.083
0.422
= 0.22
0
273
=
=
= 8.2229
33.2 33.2
0.172
1 = 0.139
1.6
0.422
0 = 0.083
8.22291.6
0
= 0.068
4.2
0.172
1 = 0.139
4.2
1 = 0.1390
( + 1 )
74.8246
ln() =
(0.0685 + (0.22)0.1390)
8.2229
ln() = 0.6286
= 0.6286
= .
=
= 1.8750 960
=
ln() =
3. Evaluation of Pure Component Fugacity (f) and Coefficient Fugacity () from qubic equation
Eq of State
(Tr)
Zc
vdW (1873)
1/8
27/64
3/8
RK (1949)
Tr-1/2
0.08664
0.42748
1/3
SRK (1972)
Srk(Tr;)
0.08664
0.42748
1/3
PR (1976)
PR(Tr;)
1 + 2
1 2
0.07779
0.45724
0.30740
(, ) = [1 + (0.480 + 1.574 0.1762 ) (1 2 )]
1
(, ) = [1 + (0.37464 + 1.54226 0.269922 ) (1 2 )]
Page 3 of 8
3.a Van der Waals (vdw) Equation state
Step :
- Determine and from literature data and calculate and
For hydrogen
= 33.2
= 13
=
960
960
=
=
= 74.8246
13
12,83
Determine (Tr) ; ; ; ; from table
() = 1 ; = 0
;
=0 ;
Calculate
1 74.8246
) = 1.1374
= = (
8 8.2229
()
(27/64) (1)
=
=
= 0.4104
(1/8) (8.2229)
Calculate Z
= 1 +
= 1/8
= 0.22
0
273
=
=
= 8.2229
33.2 33.2
= 27/64
( + )( + )
= 1 + 1.1374 0.4104(1.1374)
= 2.1374 0.46679
1.1374
( + (0)1.1374)( + (0)1.1374)
1.1374
2
= 2.0362
-
Choose equation I and calculate I
Because = , so equation I is
1.1374
=
=
= 0.5586
+ 2.0362 + (0)1.1374
Pure Component Fugacity (f) and Coefficient Fugacity ()
ln() = 1 ln( )
ln() = 2.0362 1 ln(2.0362 1.1374) 0.4104(0.5586)
ln() = 0.91353
= 0.91353
= .
=
= 2.4931 960
=
Page 4 of 8
3.b Redlich Kwong (RK) Equation state
Step :
- Determine and from literature data and calculate and
For hydrogen
= 33.2
= 13
=
960
960
=
=
= 74.8246
13
12,83
Determine (Tr) ; ; ; ; from table
=1
;
=0 ;
= 0.08664
0.5
0.5
() = = 8,2229 = 2.8676
Calculate
74.8246
) = 0.7884
= = 0.0866 (
8.2229
() (0.62748) (2.8676)
=
=
= 1.7206
(0.0866) (8.2229)
Calculate Z
= 1 +
= 0.22
0
273
=
=
= 8.2229
33.2 33.2
= 0.62748
( + )( + )
= 1 + 0.7880 1.7206(0.7880)
0.7880
( + (0)0.7880)( + (1)0.7880)
= 1.5066
-
Choose equation I and calculate I
Because , so equation I is
1
+
1
1.5066 + (1)0.7884
)=
) = 0.4209
=
ln (
ln (
+
10
1.5066 + (0)0.7884
Pure Component Fugacity (f) and Coefficient Fugacity ()
ln() = 1 ln( )
ln() = 1.5066 1 ln(1.5066 0.7884) 1.7206(0.4209)
ln() = 0.1134
= 0.1134
= .
=
= 1.1201 960
=
Page 5 of 8
3.c Soave Redlich Kwong (SRK) Equation state
Step :
- Determine and from literature data and calculate and
For hydrogen
= 33.2
= 13
= 0.22
960
960
0
273
= =
=
= 74.8246
= =
=
= 8.2229
13
12,83
33.2 33.2
Determine (Tr) ; ; ; ; from table
=1
;
=0 ;
= 0.08664
= 0.62748
1
(, ) = [1 + (0.480 + 1.574 0.1762 ) (1 2 )]
1
(, ) = [1 + (0.480 + 1.574(0.22) 0.176(0.22)2 ) (1 (8.2229)2 )]
(, ) = 0.2780
-
Calculate
74.8246
) = 0.7884
= = 0.0866 (
8.2229
() (0.62748) (0.2780)
=
=
= 0.1668
(0.0866) (8.2229)
Calculate Z
= 1 +
( + )( + )
= 1 + 0.7880 0.2448(0.7880)
0.7880
( + (0)0.7880)( + (1)0.7880)
= 1.7599
-
Choose equation I and calculate I
Because , so equation I is
1
+
1
1.7599 + (1)0.7884
)=
) = 0.3702
=
ln (
ln (
+
10
1.7599 + (0)0.7884
Pure Component Fugacity (f) and Coefficient Fugacity ()
ln() = 1 ln( )
ln() = 1.7599 1 ln(1.7599 0.7884) 0.1668(0.3702)
ln() = 0.7271
= 0.7271
= .
=
= 2.0690 960
=
Page 6 of 8
3.d Peng Robinson (PR) Equation state
Step :
- Determine and from literature data and calculate and
For hydrogen
= 33.2
= 13
= 0.22
960
960
0
273
= =
=
= 74.8246
= =
=
= 8.2229
13
12,83
33.2 33.2
Determine (Tr) ; ; ; ; from table
= 1 + 2
;
= 1 2 ;
= 0.07779
= 0.45724
1
(, ) = [1 + (0.37464 + 1.54226 0.269922 ) (1 2 )]
1
(, ) = [1 + (0.37464 + 1.54226(0.22) 0.26992(0.22)2 ) (1 (8.2229)2 )]
(, ) = 0.0954
-
Calculate
74.8246
) = 0.7079
= = 0.07779 (
8.2229
() (0.45724) (0.0954)
=
=
= 0.0682
(0.07779) (8.2229)
Calculate Z
= 1 +
( )( + )
= 1 + 0.7079 0.0682(0.7079)
0.7079
( + (1 2)0.7079)( + (1 + 2)0.7079)
= 1.6961
-
Choose equation I and calculate I
Because , so equation I is
1
+
1
1.6961 + (1 + 2)0.7079
)=
=
ln (
ln (
) = 0.3488
+
(1 + 2) (1 2)
1.6961 + (1 2)0.7079
Pure Component Fugacity (f) and Coefficient Fugacity ()
ln() = 1 ln( )
ln() = 1.7466 1 ln(1.7466 0.7884) 0.0682(0.3488)
ln() = 0.6841
= 0.6841
= .
=
= 1.9820 960
=
Page 7 of 8
Comparations Pure Component Fugacity (f) and Coefficient Fugacity () of Hydrogen at 0oC
temperature and 960 atm pressure from several Equation.
Equation
From Compressibility Data
Virial Equation
Van der Waals (VdW)
Redlich Kwong (RK)
Soave Redlich Kwong (SRK)
Peng Robinson (PR)
Coefficient fugacity,
1.9140
1.8750
2.4934
1.1201
2.0690
1.9820
Fugacity, f (atm)
1837
1800
2394
1075
1962
1903
Page 8 of 8
