Homework-6-Spring-2010

Homework-6-Spring-2010 - CHEN 4330 – Spring 2010...

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Unformatted text preview: CHEN 4330 – Spring 2010 Homework Assignment  3 Due: 9am, Monday March 8th, 2010 Problem 1: As mentioned in class, it is useful to write code (for example, Polymath) in a format that is easy to understand and modify. Your first task is to rewrite you Polymath code for HW 5 to have the following characteristics: a. All equations are to be written in their general formats: for example you should code Ca=Ca0(1 ­x)y/(1+eps•x) and not Ca=0.4(1 ­x)y/(1+0.5x). This way you can easily change the input parameters to see how the process changes with these conditions. For example, your code should be able to be easily modified given a different rate law, different stoichiometry, reactor length, catalyst density, initial flow rates, etc. b. All calculations are to be done within the code – do not calculate input separately and then input into Polymath. For example, have Polymath calculate the catalyst mass W to fill the PBR (which you have to manually transfer as the boundary condition w(f)). c. Organize the code into sections for the steps of the CRE algorithm. d. Include comments throughout to describe what the code is doing. For example, include a header for the Rate Law section, the Stoichiometry section, etc. Also include comments that give the units for any input; for example: Rgas=0.082057 # (L ­atm/K ­mol) e. Give your code the ability to change temperature – that is, have it calculate the rate constant given a rate constant at a different temperature. Problem 2: Same PBR as HW 5, but a. b. c. d. e. Repeat parts A and B of HW 5 using your new code. Repeat parts A and B of HW 5 using your new code but with A+B goes to 2C+D Repeat parts A and B of HW 5 using your new code but with –rA=k’CA^2CB Repeat parts A and B of HW 5 using your new code but with T=200 and 400C. Repeat parts A and B of HW 5 using your new code but with activation barriers of 15 and 35 kcal/mol (assume the barrier was 25 kcal/mol in HW 5 – you can figure out what the pre ­exponential factor must be). f. Repeat (e), but with T=200 and 400C. For each part, comment on your observations – for example, the pressure drop is insensitive to pressure, or the conversion in insensitive to temperture (not likely!) Enjoy! ...
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