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Kinetic Modeling


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#1 LMendez

LMendez

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Posted 27 June 2006 - 10:45 AM

Hi there,

I'm working on the design of a continuous (free radical) polymerization reactor for achieving 30% conversion, so in order to choose for the lenght of the reactor I need to know the time required to rech that level of conversion. I've searched in journal articles and I've found curves of %conversion vs. time and also how they mention the kinetic modeling from initiation, propagation and termination rates, steady-state assumption and all. However there's no much of a detailed description on how did they get such curves. I've found in journals and in books as well that they only write down a large set of ordinary differential equations for each radical species and another set of algebraic equations which are solved numerically and voilá...the curve. I want to be able to reproduce those curves by myself for different materials and polymerization conditions. Does anybody has a hint where I could find a good review (book, handbook, journal, etc.) about the procedure of defining, deriving and solving these equations and how to get to those curves?

Sorry if my question is too loaded but I've a mechanical engineering background (that's why I'm on the mechanical design part of the task) and it's been a bit difficult to compensate the lack of those chem.eng. school years.
Thanks,

LM

#2 clarence

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Posted 19 July 2006 - 06:42 AM

Hi LM!

Those large set of ODE's and algebraic equations are the design equations for the tubular reactor (i figure, since you want to find the length of the reactor) and the kinetic expressions (the rate of reactions). I would recommend a good book such as Fogler's "Elements of Chemical Reaction Engineering" to help you out.

I hope i've answered your question.




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