A Useful Excel-Based Program for Kinetic Model Discrimination

Lidia Pino,Vincenzo Recupero,Agustín Hernández

doi:10.3390/chemengineering2040057

Lidia Pino, Vincenzo Recupero + Show 1 more

Open Access

https://doi.org/10.3390/chemengineering2040057

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Abstract

In the present study, the ANEMONA.XLT tool, an Excel template that was designed for calculation of enzyme kinetic parameters, has been successful adapted to some proposed models for dry reforming reaction, such as Eley-Rideal or Langmuir-Hinshelwood kinetic models. Model discrimination by non-linear regression analysis has been applied to data from the literature; the predicted kinetic parameters that were obtained using ANEMONA.XLT were fully comparable with those already published. Thus, the template can be a helpful and user-friendly alternative tool for researchers who do not have advanced skills in computer programming.

Highlights

In the last decade the growing energy demand, furnished primarily from fossil fuels, have created environmental issues due to the generation of greenhouse gases (CO2 and CH4)
In the present study, the ANEMONA.XLT tool, an Excel template that was designed for calculation of enzyme kinetic parameters, has been successful adapted to some proposed models for dry reforming reaction, such as Eley-Rideal or Langmuir-Hinshelwood kinetic models
When compared side by side, the estimations of the parameters obtained using the ANEMONA tool were in accordance with those reported by the authors, taking into account the possible inaccuracy of our starting data

Summary

Introduction

In the last decade the growing energy demand, furnished primarily from fossil fuels, have created environmental issues due to the generation of greenhouse gases (CO2 and CH4). Many commercial software packages (Polymath, Mathcad, Matlab) can be used, but they often require some knowledge of mathematics, data management is not easy, they tend to display data-results-analysis in multiple and separate windows that can lead to confusion and, they are expensive To overcome these issues, we have tested the ANEMONA.XLT program [9], a free Excel template, for its suitability to estimate kinetic parameters by fitting literature data to some typical kinetic models that were proposed for the DR reaction. The ANEMONA.XLT program, as developed by Hernández and Ruiz [9] for the specific calculation of enzyme kinetic parameters, is a collection of mathematical models corresponding to mono- or pseudo-monosubstrate reactions (Michaelis–Menten, double Michaelis–Menten, Hill model, substrate inhibition) and the most common bisubstrate mechanisms (ping-pong, ordered, and random). These models can be modified according to the different kinetic models, such as those proposed for DR reactions, as evidenced in this note

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