A Python library and command line interface for automated free energy calculations
DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output
EQ3/6, a Software Package for Geochemical Modeling
Thermodynamics powered by Machine Learning
Program to calculate phase boundaries of multicomponent systems using Equations of State. WIP now suporting PT envelopes and PX envelopes with partial three-phase-behaviour
Ab-initio thermodynamics and Reaction Energy Profiles
A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.
Package to solve multiple chemical equilibria problems.
The purposes of the projects are to calculate and simulate the thermodynamic steam table temperatures by making use of VBA (Visual Basic Applications) and python scripts.
This is a simple example of how to run CoolProp Javascript wrapper with Units handled by mathjs
Repository for all of my work on modelling thermodynamic cycles using python and coolprop ; Hope this might be useful to someone! :-)
Thermodynamic cycle of engine processes
It takes a system's volume and temperature and then uses Lee Kesler Correlation values to relate pressure to temperature and volume while assuming ideal gas laws. This is an iterative process to find an approximate pressure.
ChemBIP is a versatile and powerful tool designed to estimate binary interaction parameters essential for Vapor Liquid Equilibrium (VLE).
HECSS is a Monte-Carlo, configuration space sampler using sample weighting algorithm for probability distribution sampling.
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