Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
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Mar 16, 2025 - Python
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Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Python version of the amazing Reaction Mechanism Generator (RMG).
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
Thermal Engineering Systems in Python (TESPy). This package provides a powerful simulation toolkit for thermodynamic modeling of thermal engineering plants such as power plants, heat pumps or refrigeration machines.
The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty
PYroMat thermodynamic properties in Python
PrimerServer2: a high-throughput primer design and specificity-checking platform
Gas models, combustion and gas turbine solver.
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
BioSTEAM's Premier Thermodynamic Engine
NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.
Simple, full-featured, lightweight CoolProp wrapper for Python
A simple way to calculate Gibbs free energy from Vasp calculations
ARC - Automatic Rate Calculator
An open source python library for equilibrium calculation based on global minimization of Gibbs free energy.
Solvation Structure and Thermodynamic Mapping
Hydrogen (or other pure gas phase species) depressurization calculations
Cross-platform engineering nonlinear equations systems solver [Under construction 🚧]
mechanics, statistical mechanics, fluid dynamics, thermodynamics, quantum mechanics, electromagnetism
Pure python package for electrolyte equilibrium calculation
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