The folders contain simulation output data generated with the Single first-order (SFOR), the CRECK, and the Bio-CPD model. 
A detailed description of the models and their implementation is given in the correlated article: 

Comparative analysis of pyrolysis models including SFOR, CRECK, and Bio-CPD to predict reaction kinetics and products from extracted biomass components
Stefan Pielsticker, Paulo Debiagi, Francesca Cerciello, Christian Hasse, Reinhold Kneer
Fuel   
DOI: 10.1016/j.fuel.2024.131867


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The folder 'TGA_Comparison' includes simulation data, where the time-dependent mass loss during thermogravimetric analysis (TGA) with a constant heating rate (5k/min) predicted by the different models (SFOR, CRECK, and Bio-CPD) is evaluated.
The folder is subdivided into three fuels 'Cellulose', 'Hemicellulose', and 'Lignin'. 
Within each subfolder, the single simulation files are named after the used model (e.g., '_SFOR_' for the single first-order model). 

Depending on the model, the '*.csv' file includes the following variables (columns) as a function of time (rows).

%% SFOR
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
Solid [-]: Remaining solid (char) (observed at the particle)


%% CRECK
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
XXX mass fraction [-]: Mass fraction of species XXX in the particle  

%% Bio-CPD
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
LabileBridges [-]: Fraction of labile bridges
StableBridges [-]: Fraction of stable bridges
SideChains [-]: Fraction of side chains
MassFractionLightGas [-]: Integrally released mass fraction of light gas (observed at the particle)
MassFractionTar [-]: Integrally released mass fraction of tar (observed at the particle)
MassFractionChar [-]: Remaining mass fraction of solid (char) (observed at the particle)

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The folder 'FBR_Rate_Comparison' includes simulation data, where the time-dependent release of volatiles during primary pyrolysis in the fluidized bed reactor predicted by the different models (SFOR, CRECK, Bio-CPD) is evaluated.
The folder is subdivided into three fuels 'Cellulose', 'Hemicellulose', and 'Lignin'. 
Within each subfolder, the single simulation files are named after the reactor temperature (e.g., '_673K_' for reactor temperature of 673 K) and the used model (e.g., '_SFOR_' for the single first-order model). 

Depending on the model, the '*.csv' file includes the following variables (columns) as a function of time (rows).

%% SFOR
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
Volatiles [-]: Integrally released mass fraction of volatiles (observed at the particle)
VolatileRateFTIR [1/s]: Mass-specific volatile (light gas + tar) release rate  (observed in the FTIR gas cell) in 1 per second

%% CRECK
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
XXX mass fraction [-]: Mass fraction of species XXX in the particle  
VolatileRateFTIR [1/s]: Mass-specific volatile (sum of all released gas species) release rate  (observed in the FTIR gas cell) in 1 per second

%% Bio-CPD
Time [s]: Time in seconds
ParticleTemperature [K]: Particle temperature in Kelvin
LabileBridges [-]: Fraction of labile bridges
StableBridges [-]: Fraction of stable bridges
SideChains [-]: Fraction of side chains
MassFractionLightGas [-]: Integrally released mass fraction of light gas (observed at the particle)
MassFractionTar [-]: Integrally released mass fraction of tar (observed at the particle)
VolatileRateFTIR [1/s]: Mass-specific volatile (light gas + tar) release rate  (observed in the FTIR gas cell) in 1 per second

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The folder 'FBR_Cracking_Comparison' includes simulation data, where different secondary gas-phase reaction models have been evaluated.
The folder is subdivided into three fuels 'Cellulose', 'Hemicellulose', and 'Lignin'. 
Within each subfolder, the single simulation files are named after the reactor temperature (e.g., '_673K_' for reactor temperature of 673 K), the used primary pyrolysis model (e.g., '_CPD_' for the Bio-CPD model), and the corresponding secondary gas-phase reaction model (including the case '_no_gasphase_reaction_', where the gasphase decomposition is deactivated.)   

Depending on the primary pyrolysis model, the '*.csv' file includes the following variables (columns) as a function of time (rows).

%% CRECK
Time [s]: Time in seconds
XXX rate [1/s]: Mass-specific release rate of species XXX (observed after the assumed gas residence time for the reaction) in 1 per second

%% CPD
Time [s]: Time in seconds
TarRateFTIR [1/s]: Mass-specific tar release rate  (observed in the FTIR gas cell) in 1 per second
LightGasRateFTIR [1/s]: Mass-specific light gas release rate  (observed in the FTIR gas cell)  in 1 per second

