Difference between revisions of "Multiple reactions - 2013"
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Kevin Dunn (talk | contribs) m (→07 March 2013) |
Kevin Dunn (talk | contribs) m (→07 March 2013) |
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# The 3 important algebraic variables: plot these 3 against time and interpret them. | # The 3 important algebraic variables: plot these 3 against time and interpret them. | ||
S_DU = (k1*CA - k2*CB) / (k2*CB | S_DU = if (t>0.001) then (k1*CA - k2*CB) / (k2*CB) else 0 | ||
Overall_SDU = CB/ | Overall_SDU = if (t>0.001) then CB/CC else 0 | ||
Yield = CB/(2 - CA | Yield = if (t>0.001) then CB / (2 - CA) else 0 | ||
# Independent variable details | # Independent variable details |
Revision as of 19:15, 11 March 2013
Class date(s): | 06 March | ||||
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Textbook references
- F2011: Chapter 8
- F2006: Chapter 6
Suggested problems
Will be posted soon
Class materials
06 March 2013 (08B-2)
07 March 2013
Polymath code for example in class. Make sure you plot the instantaneous selectivity, overall selectivity and yield over time. Compare these 3 plots during the batch to understand what each of these 3 variables mean.
# ODEs
d(CA) / d(t) = -k1*CA
d(CB) / d(t) = k1*CA - k2*CB
d(CC) / d(t) = k2*CB
# Initial conditions
CA(0) = 2 # mol/L
CB(0) = 0 # mol/L
CC(0) = 0 # mol/L
# Algebraic equations
k1 = 0.5 # 1/hr
k2 = 0.2 # 1/hr
# The 3 important algebraic variables: plot these 3 against time and interpret them.
S_DU = if (t>0.001) then (k1*CA - k2*CB) / (k2*CB) else 0
Overall_SDU = if (t>0.001) then CB/CC else 0
Yield = if (t>0.001) then CB / (2 - CA) else 0
# Independent variable details
t(0) = 0
t(f) = 3.1 # hours