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P 1 0 - 1 ? B a . Example 1 0 - 1 : Nonlinear Regression to Determine Model Parameters and Site Concentration Ratio

P10-1?B
a. Example 10-1: Nonlinear Regression to Determine Model Parameters and Site Concentration Ratio =CT.SCB*S
Wolfram and Python
ii. Find the value KB where the curve for (CB*SCt) versus conversion x changes from convex to concave and explain why this shape change occurs.
iii. Write a set of conclusions for your experiments (i) and (ii).
b. Example 10-2: Catalytic Reactor Design
Wolfram and Python
i. Describe how the partial pressure profiles change as you vary the sliders for ,KT' and k.
ii. What if the molar flow rate were reduced by 50%; how would x and p change?
(e.g., lateral thinking) to suggest two questions that should be included in this problem.
iv. Write two conclusions from your experiments with the sliders in this example.
Polymath
v. What catalyst weight would be required for 60% conversion?
vi. Which parameter will you vary so that PB=PHz at the middle of the reactor (i.e.,W=5000kg).
c. Example 10-3: Hydrogenation of Ethylene to Ethane
Use Polymath to learn how your answers would change if the following data for run 10 were incorporated in your regression table.
-rE'=0.8molkg-cat*s,PE=0.5atm,PEA=15atm,PH=2atm
How do the rate laws (e) and (f)
(e)-rE'=kPEPH(1+KAPEA+KEPE)2
(f)-rE'=kPHPE1+KAPEA
compare with the nonlinear analysis with the other rate laws used to model the data?
d. Example 10-4: Calculating Conversion with Catalyst Decay in Batch Reactors
Wolfram and Python
i. What is the maximum conversion that can be achieved if there is no catalyst decay?
ii. Vary k and kd and describe what you find. Can you explain why there is no effect of catalyst decay on conversion at a high value of k?
iii. Vary E and kd and then write a few sentences and three conclusions describing the results of your experiments.
iv. Explain why conversion with catalyst decay increases with increasing Ed and decreases with increasing E.
Polymath
v. Vary the ratio of (kkd) and describe what you find.
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