Simulating and Fitting Data for Chemical Reactions

[Namir]

Hi All,

If you are a chemist or chemical engineer, then you might be interested in my latest study "Simulating and Fitting Data for Chemical Reactions" that I posted on my website (Click here and select the last entry in the list of topics.). The study shows how to simulate measuring the concentrations of chemicals (reactants and products) for various kinds of chemical reaction. The study then shows how to perform the nonlinear curve fitting for different kinds of reactions using the optimization of custom ODE numerical solvers (I am using the Runge-Kutta-Fehlberg method). The study also shows a case where you use custom ODE numerical solver to simulate measured chemical concentrations when the analytical equations that related these concentrations and time are not available.

Enjoy!

Namir