FPVgen

FPVgen is a software tool for generating flamelet progress variable (FPV) tables for combustion simulations. It handles the generation of flamelet solutions for counterflow diffusion flames, including the computation of complete S-curves with stable, unstable, and extinction branches.

Installation

Note: This repository requires Cantera >= 3.1.

To install FPVgen, follow these steps:

1. Clone the repository:

   git clone https://github.com/IhmeGroup/FPVgen.git
   cd FPVgen

2. Create a virtual environment and activate it (using venv or conda):

   # Using venv
   python -m venv fpvgen
   source fpvgen/bin/activate  # On Windows use `fpvgen\Scripts\activate`
   
   # Using conda
   conda create --name fpvgen python==3.12 pip
   conda activate fpvgen

3. Install FPVgen and its dependencies using pip:

   pip install .

Basic Structure of an Input File

The input file for FPVgen uses TOML format. Below is an example of the structure of a minimal input file:

# input.toml
# Configuration for flamelet table generation

[mechanism]
file = "gri30.yaml"                                      # Path to mechanism file
transport_model = "mixture-averaged"                     # Transport model: "unity-Lewis-number", "mixture-averaged", or "multicomponent"
prog_def = { CO = 1.0, H2 = 1.0, CO2 = 1.0, H2O = 1.0 }  # Progress variable definition

[conditions]
pressure = 101325.0  # Operating pressure in Pa

[fuel_inlet]
composition = { CH4 = 1.0 }  # Pure methane
temperature = 300.0          # Temperature in K

[oxidizer_inlet]
composition = { O2 = 0.21, N2 = 0.79 }  # Air
temperature = 300.0                     # Temperature in K

A comprehensive input file with all available options may be found at sample/input.toml

Usage

Generating Flamelet Tables

To run the full process, including computation of flamelets, plotting of results, and assembly of the table, run the following command:

generate_table <input> [--verbose]

• <input>: Path to the TOML input file.
• --verbose: Enable verbose logging (optional).

Plotting Flamelet Solutions

To plot flamelet solutions from an HDF5 file, run the following command:

plot_flamelets <solutions_file> [-o <output_dir>] [-v]

• <solutions_file>: Path to the HDF5 solutions file.
• -o <output_dir>: Output directory for plots (optional, default: same as solutions file).
• -v: Enable verbose logging (optional).

Assembling FPV Table

To assemble the FPV table from existing solutions, run the following command:

assemble_table <solutions_file> <output_dir> [--verbose]

• <solutions_file>: Path to the HDF5 solutions file.
• <output_dir>: Directory to save the assembled FPV table.
• --verbose: Enable verbose logging (optional).

License

This project is licensed under the MIT License. See the LICENSE file for details.

Citation

Citation information is provided via Zenodo: 10.5281/zenodo.14728543