Quantitatively modelling kinetics through a visual analysis of the derivative thermogravimetric curves: application to biomass pyrolysis

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Abstract

Analytic relations are developed that directly link visually observable features of differential thermogravimetric (DTG) curves (e.g., peak temperature, height, width, skewness and conversion at the peak) to the parameters of chemical reaction kinetics models (e.g., activation energy and prefactor), which can be used to study the thermal decomposition of solid fuels. General expressions suitable for any reaction model are provided, as well as explicit expressions for nth order reactions with a rate constant given by the Arrhenius equation. This approach is illustrated for the pyrolysis of biomass, where it is found to provide a rapid and accurate estimate of the relative contributions of cellulose, hemicellulose, and lignin to the volatile yield, as well as their kinetic parameters. The method offers a simple way to obtain the model reaction kinetics parameters from thermogravimetric data and saves computing time by providing sensible initial values and bounds of the fit parameters.
LanguageEnglish
Pages296-305
Number of pages10
JournalEnergy Conversion and Management
Volume172
Early online date14 Jul 2018
DOIs
Publication statusPublished - 15 Sep 2018

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Biomass
Pyrolysis
Derivatives
Kinetic parameters
Reaction kinetics
Kinetics
Lignin
Rate constants
Cellulose
Activation energy
Temperature

Keywords

  • biomass pyrolysis
  • reaction kinetics
  • peak shape
  • deconvolution model

Cite this

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title = "Quantitatively modelling kinetics through a visual analysis of the derivative thermogravimetric curves: application to biomass pyrolysis",
abstract = "Analytic relations are developed that directly link visually observable features of differential thermogravimetric (DTG) curves (e.g., peak temperature, height, width, skewness and conversion at the peak) to the parameters of chemical reaction kinetics models (e.g., activation energy and prefactor), which can be used to study the thermal decomposition of solid fuels. General expressions suitable for any reaction model are provided, as well as explicit expressions for nth order reactions with a rate constant given by the Arrhenius equation. This approach is illustrated for the pyrolysis of biomass, where it is found to provide a rapid and accurate estimate of the relative contributions of cellulose, hemicellulose, and lignin to the volatile yield, as well as their kinetic parameters. The method offers a simple way to obtain the model reaction kinetics parameters from thermogravimetric data and saves computing time by providing sensible initial values and bounds of the fit parameters.",
keywords = "biomass pyrolysis, reaction kinetics, peak shape, deconvolution model",
author = "Teresa Mart{\'i}-Rossell{\'o} and Jun Li and Leo Lue",
year = "2018",
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doi = "10.1016/j.enconman.2018.07.018",
language = "English",
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TY - JOUR

T1 - Quantitatively modelling kinetics through a visual analysis of the derivative thermogravimetric curves

T2 - Energy Conversion and Management

AU - Martí-Rosselló, Teresa

AU - Li, Jun

AU - Lue, Leo

PY - 2018/9/15

Y1 - 2018/9/15

N2 - Analytic relations are developed that directly link visually observable features of differential thermogravimetric (DTG) curves (e.g., peak temperature, height, width, skewness and conversion at the peak) to the parameters of chemical reaction kinetics models (e.g., activation energy and prefactor), which can be used to study the thermal decomposition of solid fuels. General expressions suitable for any reaction model are provided, as well as explicit expressions for nth order reactions with a rate constant given by the Arrhenius equation. This approach is illustrated for the pyrolysis of biomass, where it is found to provide a rapid and accurate estimate of the relative contributions of cellulose, hemicellulose, and lignin to the volatile yield, as well as their kinetic parameters. The method offers a simple way to obtain the model reaction kinetics parameters from thermogravimetric data and saves computing time by providing sensible initial values and bounds of the fit parameters.

AB - Analytic relations are developed that directly link visually observable features of differential thermogravimetric (DTG) curves (e.g., peak temperature, height, width, skewness and conversion at the peak) to the parameters of chemical reaction kinetics models (e.g., activation energy and prefactor), which can be used to study the thermal decomposition of solid fuels. General expressions suitable for any reaction model are provided, as well as explicit expressions for nth order reactions with a rate constant given by the Arrhenius equation. This approach is illustrated for the pyrolysis of biomass, where it is found to provide a rapid and accurate estimate of the relative contributions of cellulose, hemicellulose, and lignin to the volatile yield, as well as their kinetic parameters. The method offers a simple way to obtain the model reaction kinetics parameters from thermogravimetric data and saves computing time by providing sensible initial values and bounds of the fit parameters.

KW - biomass pyrolysis

KW - reaction kinetics

KW - peak shape

KW - deconvolution model

UR - https://sciencedirect.com/journal/energy-conversion-and-management

U2 - 10.1016/j.enconman.2018.07.018

DO - 10.1016/j.enconman.2018.07.018

M3 - Article

VL - 172

SP - 296

EP - 305

JO - Energy Conversion and Management

JF - Energy Conversion and Management

SN - 0196-8904

ER -