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CITATION.cff
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# YAML 1.2
---
cff-version: 1.2.0
message: "If you use this software, please cite it using these metadata."
type: misc
license: "GPL-3.0"
title: "Combustion Toolbox: A MATLAB-GUI based open-source tool for solving gaseous combustion problems"
version: 1.1.3
doi: 10.5281/zenodo.5554911
date-released: 2024-11-10
url: "https://combustion-toolbox-website.readthedocs.io"
repository-code: "https://github.com/CombustionToolbox/combustion_toolbox"
abstract:
"
[Website](https://combustion-toolbox-website.readthedocs.io)
## Main features
- The code stems from the minimization of the free energy of the system by using Lagrange multipliers combined with a Newton-Raphson method, upon condition that initial gas properties are defined by two functions of states (e.g., temperature and pressure)
- When temperature is not externally imposed, the code retrieves a routine also based on Newton-Raphson method to find the equilibrium temperature
- Solve processes that involve strong changes in the dynamic pressure, such as detonations and shock waves in the steady state
- Find the equilibrium conditions of the different phenomena undergoing behind the shock: molecular vibrational excitation up to dissociation, and electronic excitation up to ionization, thereby providing the `properties of the gas in plasma state` within the temperature range given by the NASA’s 9-coefficient polynomial fits.
- Calculate the chemical equilibrium composition of a mixture by selecting which species can react or remain chemically frozen (inert).
- The corresponding thermodynamic properties of the species are modelled with `NASA’s 9-coefficient polynomial fits`, which ranges `up to 20000 K`, and the ideal gas equation of state
- Results are in `excellent agreement with NASA’s Chemical Equilibrium with Applications (CEA) program`, CANTERA and Caltech’s Shock and Detonation Toolbox, and TEA
* `Chemical equilibrium problems`
- TP: Equilibrium composition at defined temperature and pressure
- HP: Adiabatic temperature and composition at constant pressure
- SP: Isentropic compression/expansion to a specified pressure
- TV: Equilibrium composition at defined temperature and constant volume
- EV: Adiabatic temperature and composition at constant volume
- SV: Isentropic compression/expansion to a specified volume
* `Shock calculations:`
- Pre-shock and post shock states
- Equilibrium or frozen composition
- Incident or reflected shocks
- Chapman-Jouguet detonations and overdriven detonations
- Reflected detonations
- Oblique shocks/detonations
- Shock/detonation polar curves for incident and reflected states
- Hugoniot curves
- Ideal jump conditions for a given adiabatic index and pre-shock Mach number
* `Rocket propellant performance assuming:`
- Infinite-Area-Chamber model (IAC)
- Finite-Area-Chamber model (FAC)
* All the routines and computations are encapsulated in a more comprehensive and `user-friendly GUI`
* The code `is in it’s transition to Python`
* Export results in a spreadsheet
* Export results as a .mat format
* `Display predefined plots` (e.g., molar fraction vs equilence ratio)
"
authors:
-
family-names: "Cuadra"
given-names: A
orcid: "https://orcid.org/0000-0001-8280-2426"
-
family-names: "Huete"
given-names: C
orcid: "https://orcid.org/0000-0002-3227-8520"
-
family-names: "Vera"
given-names: M
orcid: "https://orcid.org/0000-0001-6878-1788"
cff-version: "1.1.0"
keywords:
- thermochemistry
- "chemical-equilibrium"
- ionization
- hypersonics
- shock waves
- detonation
- MATLAB
- app
- toolbox
- "open-source"