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Topic: Inferring selectivity via a weight fraction analysis  (Read 3270 times)

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Offline curiouscat

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Inferring selectivity via a weight fraction analysis
« on: January 05, 2016, 07:51:50 AM »
Suppose I've a reactant R that forms several products A / B / C / D.

R :rarrow: A , R :rarrow: B are all parallel reactions.

The Molecular Weights of R, A, B, C etc. are all known.

R / A / B / C etc. are all in the same phase and the weight fractions at end of reaction are known. Is there an analytical expression I can derive to get the fraction of R that reacts via each reaction?

I wrote out the equations but I can't seem to get an analytical equation but a set of parallel, linear equations that I must solve numerically.


Offline mjc123

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Re: Inferring selectivity via a weight fraction analysis
« Reply #1 on: January 05, 2016, 08:06:39 AM »
If you know the weight fractions and molecular weights, the mole fraction is proportional to WF/MW.
Assuming no side or cross reactions, the fraction of R that reacts to give A is
FA = (WA/MA)/(WR/MR + WA/MA + WB/MB ...)

Offline curiouscat

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Re: Inferring selectivity via a weight fraction analysis
« Reply #2 on: January 05, 2016, 09:20:10 AM »
If you know the weight fractions and molecular weights, the mole fraction is proportional to WF/MW.
Assuming no side or cross reactions, the fraction of R that reacts to give A is
FA = (WA/MA)/(WR/MR + WA/MA + WB/MB ...)

Indeed! I think that works.

I must have messed the math up. Thanks. I will double check why I got twisted up.

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