Wednesday, August 23, 2017

Finding the rate law / reaction mechanism: exercise shows the way

We highly recommend that chemists and engineers involved in kinetic modeling take our dedicated exercise that focuses on determining the correct rate law.

In DynoChem's Fitting window, it is easy to quickly try different parameter fitting options and especially select different groups of parameter to fit. When confronted with new data, models can be adapted and further developed, in this case to better capture the reaction mechanism.

This exercise takes you through that workflow using  the Menschutkin reaction of 3,4-dimethoxybenzyl bromide and 3-chloro-pyridine:

A handful of well-controlled experiments followed by sampling together with use of the DynoChem Fitting window allows the single-line reaction to be broken out into a series of elementary steps that better represent the chemistry.  On this foundation, users build a model suitable for reaction optimization and scale-up, saving unnecessary experiments and providing a sound basis for process decisions.

Go on - take 20 minutes to give it a try.  Then share the link with your colleagues so they can start saving time on their development projects.

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