Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
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Updated
Jul 26, 2024 - Python
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 thermal engineering plants such as power plants, district heating systems or heat pumps.
The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty
PrimerServer2: a high-throughput primer design and specificity-checking platform
PYroMat thermodynamic properties in Python
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.
A simple way to calculate Gibbs free energy from Vasp calculations
A simple, full-featured, lightweight CoolProp wrapper for Python
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
Cross-platform engineering nonlinear equations systems solver [Under construction 🚧]
Pure python package for electrolyte equilibrium calculation
Hydrogen (or other pure gas phase species) depressurization calculations
Enzyme-constrained genome-scale models in python
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