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3-Newcomer
April 3, 2023
Solved

Mathcad-how to fit and optimize two objective functions

  • April 3, 2023
  • 2 replies
  • 2581 views

Hi guys, I`m a student major in chemistry. Recently, i`m confused this this interpretation, The equation"The method proposed here for determining the kinetic parameters is a multistage procedure. First, the Pearsons linear correlation coefficient between the left-hand side of eq 15 and the reciprocal of temperature is used as the objective functionfor optimization, where n and m are the variable parameters to maximize the objective function. Here, optimization has been performed by means of the maximize function of Mathcad software (Mathsoft inc.). By this optimization procedure, the n  and m parameters that yield the best linear correlation for the plot of the left-hand side of eq 15 versus the reciprocal of temperature are obtained".  The equation is shown below. So I was wondering how can I implement this derivation through Mathcad.

equation.png

 

 

 

Best answer by ValeryOchkov

My old book is now open

Chemical Kinetics with Mathcad and Maple | SpringerLink

2 replies

21-Topaz II
April 3, 2023

Hi,

Need some data to work with.

Can you tell us the paper that the quotes come from?

Cheers

Terry

3-Newcomer
April 3, 2023

Thanks for you reply, the paper was titled Combined Kinetic Analysis of Solid-State Reactions: A Powerful Tool for the Simultaneous

Determination of Kinetic Parameters and the Kinetic Model without Previous Assumptions on the Reaction Mechanism from https://pubs.acs.org/doi/10.1021/jp064792g#

21-Topaz II
April 3, 2023

Hi,

Downloaded the paper thank you.

Proposing an alternative strategy to multiphase process of optimizing for maximum Pearson's linear correlation coefficient used in the paper.

Prime has a general purpose curve fitting function called genfit() that can fit any function with any number of parameters to x and y data modelled or experimental.

Function genfit() easily produces the model equations parameter c, n, & m values from Table 1 of the paper

Cheers

Terry 

24-Ruby IV
April 7, 2023