| Name: |
Twoeq4a - Wilson
coeff. from azeotropic data (ethyl alcohol - n hexane) - 1st
form |
| Source: |
Cutlip, M. B.
and Shacham, M, Problem Solving in Chemical |
| |
Engineering
with Numerical Methods (2nd Ed.), Prentice
Hall Inc., |
| Reference/s |
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| Model: |
2 implicit equations,
indep. variables G12 and G21 |
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Average difficulty
level |
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Constraints: G12>=0,
G21>=0 |
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Discontinuities:
Undefined for G12<0 or G21<0 |
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Initial estimates:
1. G12=0.1, G21=0.1; 2.G12=0.5, G21=0.5; 3. G12=0.8, G21=0.8 |
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| Solved by |
Shacham, M., POLYMATH
5.1, build 19, April 2, 2001 |
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| Model Eqs. |
Wilson coeff.
from azeotropic data (ethyl alcohol - n hexane) - 1st form |POLVER05_1 |
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EXCEL
FILE |
f(G21) = ln(gamma2)+ln(t2)+x1*(G12*t2-G21*t1)/(t1*t2)
# |
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TEXT
FILE |
f(G12) = ln(gamma1)+ln(t1)-x2*(G12*t2-G21*t1)/(t1*t2)
# |
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POLYMATH
FILE |
t=58.7 # |
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pw1=21 # |
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x1=(pw1/46.07)/(pw1/46.07+(100-pw1)/86.18)
# |
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P2 = 10^(6.87776-1171.53/(224.366+t))
# |
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P1 = 10^(8.04494-1554.3/(222.65+t))
# |
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gamma2=760/P2
# |
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gamma1=760/P1
# |
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x2=1-x1 # |
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t1=x1+x2*G12 # |
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t2=x2+x1*G21 # |
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g2calc=exp(-ln(t2)-x1*(G12*t2-G21*t1)/(t1*t2))
# |
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g1calc=exp(-ln(t1)+x2*(G12*t2-G21*t1)
/(t1*t2)) # |
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G21(0)=0.5 |
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G12(0)=0.5 |
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| Variable/function
values |
Variable |
Value |
f(x) |
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G21 |
0.5 |
1.9504E-01 |
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G12 |
0.5 |
3.2233E-01 |
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t |
58.7 |
|
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pw1 |
21 |
|
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x1 |
0.3321 |
|
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P2 |
548.3315 |
|
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P1 |
331.5158 |
|
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gamma2 |
1.3860 |
|
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gamma1 |
2.2925 |
|
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x2 |
0.6679 |
|
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t1 |
0.6661 |
|
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t2 |
0.8339 |
|
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g2calc |
1.1404 |
|
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g1calc |
1.6608 |
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| Solution |
Variable |
Value |
f(x) |
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G21 |
0.3017535930592 |
-1.8874E-15 |
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G12 |
0.0785888476379 |
1.1935E-15 |
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t |
58.7 |
|
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pw1 |
21 |
|
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x1 |
0.3321117719491 |
|
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P2 |
548.3315489669 |
|
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P1 |
331.5158092912 |
|
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gamma2 |
1.3860227474270 |
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gamma1 |
2.2925000217180 |
|
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x2 |
0.6678882280509 |
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t1 |
0.3846003381426 |
|
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t2 |
0.7681041485338 |
|
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g2calc |
1.3860227916690 |
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g1calc |
2.2924999769100 |
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| Additional
Information |
If started farther
from the solution (see 3rd initial estimate) |
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most methods yield
negative G12 or G21 values leading to an execution error. |
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A constrained
method which keeps G12 and G21 positive throughout the |
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iterations should
be used. |