DOI: 10.5281/zenodo.15488005
title: Dataset for modeling of homogeneous ignition and volatile flame structure of single biomass particles in comparison with coal particles

description: Abstract

This dataset provides high-fidelity simulation results and processed data for investigating the ignition and volatile combustion behavior of pulverized solid fuels in a controlled laminar environment. The primary goal is to understand and quantify the ignition delay time and flame stand-off distance for different solid fuel types under varying operating conditions. The first step in predicting the correct behavior of solid fuel particles in a reactive environment is to capture their ignition dynamics accurately. Particle geometry, internal structure, elemental composition, and burner operating conditions can significantly impact ignition and combustion characteristics. Therefore, it is essential to first isolate and study these effects in a simplified single-particle configuration.

To this end, single-particle combustion simulations were conducted for Colombian coal and walnut shell biomass using a validated numerical framework. The experimental configuration corresponds to a laminar flat flame burner setup developed by Li et al. (2024), which enables multi-parameter optical diagnostics and provides benchmark data for comparison. The simulations explore multiple particle sizes and oxidizer compositions to identify the physical mechanisms governing ignition behavior and flame evolution.

This dataset includes instantaneous 3D fields of gas-phase scalars, detailed particle data, and analysis scripts for post-processing. It serves as a robust reference for researchers working on combustion model validation, solid fuel ignition modeling, and reduced-order method development.

Please note: This is a reduced version of the full dataset due to public repository size limitations. The complete dataset and additional documentation are available upon request. For more information, contact: p.farmand@itv.rwth-aachen.de

Technical details





Setup:Simulations are based on the laminar flat flame burner configuration experimentally characterized by Li et al. (2024), where solid particles are injected through a central tube into a high-temperature coflow (around 1800 K). A flat premixed flame stabilizes the environment, ensuring repeatable and spatially uniform ignition conditions.



 





Grid and Domain:The 3D domain is discretized with a Cartesian mesh, using a centerline resolution of Δx ≈ Dₚ (particle diameter), stretched outward to ensure resolution of the full ignition and flame development process. The domain is sufficiently large to avoid wall effects and to capture the entire flame structure and ignition history.



 





Boundary and Initial Conditions:Inlet gas composition mimics the post-flame exhaust gas of a CH₄/O₂/N₂ flame. The oxidizer oxygen content varies at 10%, 20%, and 40% to assess its effect on ignition and flame structure. The particle injection velocity is set using DBI-derived velocity profiles from the experiments.



 





Fuel Types and Particle Sizes:





Colombian coal and walnut shell biomass




Particle diameters: 90 µm, 125 µm, and 160 µm




Particles are assumed to be spherical





 





Models Used:





Solid Phase: CRECK-S detailed kinetic scheme for devolatilization, moisture evaporation, and char conversion




Gas Phase: Finite-rate chemistry method





 





Time Snapshots Included:Results are provided at:





Ignition time (t_ign)




t_ign + 1, t_ign+2, t_ign+3, t_ign+4, t_ign+5




Time of maximum OH concentration (t@OH_max)





These snapshots capture the ignition onset and subsequent flame evolution.

 

Data format:





Gas-phase data (data.out*):Binary files storing instantaneous 3D fields of temperature, velocity, and species mass fractions (e.g., OH). Each file corresponds to a specific simulation time.




Monitor files:





scalar: global extrema of gas-phase scalars over time




coal: Tracks particle temperature, devolatilization rate, mass loss, position, etc.






All data is stored in a format compatible with routines provided in the scripts section.



 

PostProcessing:





ReadCIAOBinaryFiles:





Readers for binary data.out*




Also used in the Visualization scripts






Scripts:





Matlab visualization for field and particle data






PostProcessedData:



Calculated ignition delay times and volatile flame distances in different cases





Visualization:



Videos and figures related to each case