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Topic: Simulating chemical reaction  (Read 1747 times)

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Offline meshohel

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Simulating chemical reaction
« on: November 10, 2012, 12:03:20 PM »
I am trying to simulate my reaction kinetics of a Organic reaction. The reaction involves three reagents and multiple mechanistic steps. First step was equilibrium followed by slow and fast steps. I tried to calculate the initial rate of the reactions by varying all the starting materials. Now I have the overall initial rate and initial concentration of the starting materials.

I feel the reaction is getting saturation at higher concentration of one of the reagent.

I would like to simulate my results graphically so that I can explain my experimental results.

Can you help me to solve this problem. I am using WIN7 64 bit.

Thank you.

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