Uses of SOPE

PETE 605- Summer 2000, M.A. Barrufet

SIMULATION OF PHASE EQUILIBRIA PACKAGE (SOPE)

For details on the use of SOPE read handout provided

Typical calculations using SOPE
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

SOPE (Simulation of Phase Equilibria)

Temp: 100 C Phase Vapour-Liquid EOS Cubic-4G

Press: 80 bar Molar Volume 233.9 cc/mol (75.5%) CH4 : 56.8%
130.4 cc/mol (24.5%) CH4: 34.3%
Vol : 13.3 cc
Num : 68 millimol
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

Additional Calculations out of printout from SOPE

Several properties can be calculated from this printout. These are not
reported but you can evaluate them using the information provided.
All calculations will be referred to the VLE calculated for a mixture of 48.53
mole % of C1 and 51.47 % of n-C4 at 100oC and 80 bar.

Feed Composition (Mole Fraction)

Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

Let (1) be methane and (2) n-butane.

n1 33
z1 0.4853
n1 n 2 33 35

z 2 1 z 1 0.5147
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

n 1 33 millimoles
n 2 35 millimoles
n t 68 millimoles

Volume of Gas and Liquid Phases

Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

The total volume is reported but the gas and liquid volumes must be
evaluated. The volumetric percentage is reported following the molar
volumes of gas and liquid.

V t 13.32 cm 3
Vg 0.755 Vt 0.755 13.32 10.0566cm 3
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

Vl 0.245 Vt 0.245 13.32 3.2634cm 3

Molar Fraction of Feed Vaporized

It can be evaluated using the reported liquid and gas compositions.

Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

From the material balance calculations recall ;

z i x i 1 f v y i f v
To evaluate fv we can use either methane or n-butane

z x 0.343 0.6325
f v y 11 x 11 0.4853
0.568 0.343
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

Apparent Total Molar Volume

It can be evaluated by two different procedures. Using both will also help to
check previous calculations.

Method (1)
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

Note that millimoles must be converted to moles

V 3 3
V mt n tt 13.32 cm 195.8823 cm
0.068 moles mol
Method (2)
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

This will serve as a check for the calculated mole fraction of the vapor.

V mt f v V mv 1 f v V ml
Replacing output molar volumes and calculated fv.
Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

cm 3
Vmt 0.6325 233.9 1 0.6325 130.4 195.864
mol

Note that the minor difference with respect to method (1) is just due to
round-off error.

Total number of moles in the gas and liquid phases

Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

ng f v nt 0.6325 0.068 0.034moles

nl ( 1 f v )nt ( 1 0.6325 ) 0.068 0.025moles

Number of moles of methane & n-butane in gas and liquid phases

ng1 ng y1 0.043 0.568 0.024moles

Uses of SOPE
PETE 605- Summer 2000, M.A. Barrufet

nl1 nl x1 0.025 0.343 0.009moles