ChEn-3170: Computational Methods in Chemical Engineering Fall 2018 UMass Lowell; Prof. V. F. de Almeida 06Dec2018
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your name
¶Context | Points |
---|---|
Precision of the answer | 80% |
Answer Markdown readability | 10% |
Code readability | 10% |
Ammonia oxidation mechanism | $K_x$ | |
---|---|---|
4 NH3 + 5 O2 <=> 4 NO + 6 H2O | 2.5e+02 | |
4 NH3 + 3 O2 <=> 2 N2 + 6 H2O | 1.8e+02 | |
4 NH3 + 6 NO <=> 5 N2 + 6 H2O | 1.099692e+02 | |
2 NO + 1 O2 <=> 2 NO2 | 1e+02 | |
2 NO <=> 1 N2 + 1 O2 | 8.485281e-01 | |
1 N2 + 2 O2 <=> 2 NO2 | 1.178511e+02 | |
4 NH3 + 4 NO + 1 O2 <=> 4 N2 + 6 H2O | 1.296e+02 |
Reference Molar Fraction | Parameter | Value | |
---|---|---|---|
NO | $x_{NO}$ | 0.05 | |
N2 | $x_{N2}$ | 0.1 | |
NO2 | $x_{NO2}$ | 0.02 | |
O2 | $x_{O2}$ | 0.3 | |
H2O | $x_{H2O}$ | 0.03 | |
NH3 | $x_{NH3}$ | 0.5 |
'''1.1 Find root and equilibrium molar fractions'''
'''1.2 Plot equilibrium vector function and equilibrium extents of reaction'''
1.3 Salient computation steps:
Ethylene and Acetylene from Ethane | $K_x$ | |
---|---|---|
C2H6 <=> C2H4 + H2 | 1.134e+02 | |
C2H6 <=> C2H2 + 2 H2 | 3.729e+02 | |
C2H4 <=> C2H2 + H2 | 3.276e+00 |
Use your own algorithms and demonstrate the quadratic convergence of Newton's method.
2. Plot the normalized extent of reaction at equilibrium on the equilibrium function plot. 3. If the goal of this reaction mechanism is to produce, simultaneously, ethylene and acetylene, what is your conclusion? 4. Describe the salient steps for computing the equilibrium molar fraction.'''2.1 Find root and equilibrium molar fractions'''
'''2.2 Plot equilibrium vector function'''
2.3 Simultaneous production of ethylene and acetylene
2.4 Salient computation steps: