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PFR model for the acid-catalyzed dehydration of fructose to HMF using HCl as the catalyst and generates the kinetic data for conversion, yield, and selectivity of the species as a function of temperature, pH, and time. The model is available in both Python and MATLAB.

License: MIT License

MATLAB 45.27% Python 54.73%
reactor-model ode pfr-model

fructose-hmf-model's Introduction

Fructose-HMF-Model

This code solves the PFR model for the acid-catalyzed dehydration of fructose to HMF using HCl as the catalyst and generates the kinetic data for conversion, yield, and selectivity of the species as a function of temperature, pH, and time. All the kinetic and thermodynamic parameters were taken from the kinetic model by T. Dallas Swift et al. ACS Catal 2014, 4,259-267.

The model is offered in both MATLAB and Python 3.6.

Developers

Publications

  • Desir, P.; Saha, B.; Vlachos, D. G. Energy Environ. Sci. 2019.
  • Swift, T. D.; Bagia, C.; Choudhary, V.; Peklaris, G.; Nikolakis, V.; Vlachos, D. G. ACS Catal. 2014, 4 (1), 259โ€“267.

License

This project is licensed under the MIT license - see the LICENSE.md file for details.

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