Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
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Updated
Nov 15, 2023 - Python
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
🌱 A fast line-by-line code for high-resolution infrared molecular spectra
Gas models, combustion and gas turbine solver.
Automated reaction pathway search for gas-phase molecules
A Differentiable Reacting Flow Simulation Package in PyTorch
Spitfire is a Python/C++ library for constructing tabulated chemistry models and solving differential equations.
AutoTST: A framework to perform automated transition state theory calculations
Source code for the paper "Data-driven reduced-order models via regularised Operator Inference for a single-injector combustion process" by S. A. McQuarrie, C. Huang, and K. E. Willcox.
Hybrid Rocket Propulsion Model [Python]
Python libraries (NumPy-based) to perform model order reduction, clustering and data analysis for combustion and aerothermochemistry data
A predictive model of the turbulent burning velocity for planar and Bunsen flames over a wide range of conditions
Integrate Combustion thermometers with Home Assistant
Repository to create neural network architecture for dynamic chemistry reduction based on Global Pathway Selection
OpenFOAM CFD solver for flamelet progress variable (FPV) combustion model with radiation heat transfer
Code for creating hybrid unsupervised clustering ML architecture for flamelet combustion models
Robust Flamelet Solver: Mixture-Fraction based Flamelet solver with arc-length continuation
A Python based open-source tool for solving gaseous combustion problems
Filter and plot sensitivity data from CHEMKIN sensitivity spreadsheets
Physics-informed neural network applied to premixed laminar flames -- simplified model using reaction progress variable.
A machine learning method to predict rate constants for various reactions in combustion kinetic models
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