Chemical Kinetics Reaction Rate Estimation - Maple Application Center
Application Center Applications Chemical Kinetics Reaction Rate Estimation

Chemical Kinetics Reaction Rate Estimation

Author
: Maplesoft AuthorSamir Khan
Engineering software solutions from Maplesoft
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This application estimates the rate parameters for a reversible reaction with dimerization of an intermediate.

It does this by
  • parameterizing (with respect to the rate parameters) the numerical solution of the different equations that describe the reaction kinetics
  • calculating the sum of the square of the errors between the model predictions and experimental data
  • minimizing the sum of the square of the errors to find the best fit values of the rate parameters

Application Details

Publish Date: March 02, 2016
Created In: Maple 2016
Language: English

Tags

chemistry

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