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Mixture designs for the simultaneous selection of ingredients, their ratios and process factors

What inspired this wish list request? 

 

In chemical industry, it is very common to optimize formulation which results from the selection of raw materials, the ratios in which to blend them and the process conditions used to manufacture them. For example, to optimize a synthesis, you want to choose the reactants, the solvant, the catalyst among a list of possible molecule, to optimize their ratio, and process variable such as temperature, time, mixing power, ...

 

 

 

What is the improvement you would like to see? 

 

Using custom design, it is difficult (but not impossible) to deal with this problematic. For example, you want that the model does not depend on the catalyst molecule when the amount of catalyst is null. To deal with it, we need to use some tricks such as the one describe here :

https://community.jmp.com/t5/Discussions/How-do-I-indicate-that-a-mixture-factor-can-take-a-number-o...

 

 

Several approach exists in the litterature :

- Muteki, K., MacGregor, J.F., Ueda, T., 2007. Mixture designs and models for the simultaneous selection of ingredients and their ratios. Chemometrics and Intelligent Laboratory Systems.

- Hada, S., n.d. Product and Mixture Design in Latent Variable Space by Chemometric Techniques.

It would be very interesting to have a plateform in JMP that can implement this kind of DoE.

 

 

Why is this idea important? 

 

This is very important to speed up the formulation of many products such as tire, shampoo, polymers, flame retardant, and so on... In our company, this kind of DoE represent a least one third of the DoE.