Dynamic chemical processes related to the description of chemical kinetics, typically modeled with a system ofOrdinary differential equations ordinary differential equationsDifferential equation (ODEs). These models usually contain many parameters representing different physicochemical quantities, such as rates of chemical reactions, formation and decomposition rates of diverse species, etc. These parameters values cannot always be experimentally measured and are often inferred using computational algorithms, which can be slow because there are infinitely many possible parameter values to explore complex reaction mechanisms.

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Nonlinear Regression Analyses: Principles and Comparisons Between Experimental and Fitting Data

  • Carlos Bravo-Diaz,
  • Sonia Losada-Barreiro,
  • José G. Santos,
  • Margarita E. Aliaga

摘要

Dynamic chemical processes related to the description of chemical kinetics, typically modeled with a system ofOrdinary differential equations ordinary differential equationsDifferential equation (ODEs). These models usually contain many parameters representing different physicochemical quantities, such as rates of chemical reactions, formation and decomposition rates of diverse species, etc. These parameters values cannot always be experimentally measured and are often inferred using computational algorithms, which can be slow because there are infinitely many possible parameter values to explore complex reaction mechanisms.