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Name: |
Threeq6 - Consecutive reactions in a CSTR |
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Source: |
Gupta, Y.P. (1995). Ind. Eng. Chem. Res.
34, 536-544 |
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Reference/s |
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Model: |
3 implicit equations, indep. Variables CA,
CB and T |
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Lower difficulty level |
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Constraints: 0<=CA<=1, 0<=CB<=1,
T>-273.16 |
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Discontinuities: T=-273.16 |
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Initial estimates: 1. CA=0.5, CB=0.5, T=500;
2. CA=0.1, CB=0.2, T=700; |
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3. CA=0.9, CB=0.8, T=200 4. CA=0.01, CB=0.01,
T=500 |
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Solved by |
Shacham, M., POLYMATH 5.1, build 19, April
5, 2001 |
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Model Eqs. |
Consecutive reactions in a CSTR |POLVER05_1 |
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EXCEL
FILE |
f(CA) = 0.1*(1-CA)-k1*CA^2 # |
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TEXT
FILE |
f(CB) = -0.1*CB+k1*CA^2-k2*CB # |
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POLYMATH
FILE |
f(T) = 0.1*(25-T)-418*k1*CA^2-418*k2*CB+Q*1e-5
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k1 = 11*exp(-4180/(8.314*(T+273.16))) # |
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k2 = 172.2*exp(-34833/(8.314*(T+273.16)))
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Q = 5.1E6 # |
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CA(0)=0.5 |
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CB(0)=0.5 |
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T(0)=500 |
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Variable/function values |
Variable |
Value |
f(x) |
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CA |
0.5 |
-1.3852E+00 |
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CB |
0.5 |
1.0036E+00 |
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T |
500 |
-7.5593E+02 |
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k1 |
5.74 |
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k2 |
0.76 |
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Q |
5100000.00 |
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Solution |
Variable |
Value |
f(x) |
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CA |
0.1578109142617 |
1.3878E-17 |
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CB |
0.77071354919 |
-1.4745E-17 |
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T |
153.09 |
0.0000E+00 |
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k1 |
3.3817035792420 |
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k2 |
0.0092739431723 |
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Additional information |
Some programs do not converge from initial
guess 4 |