Thermodynamics Python Packages

coolprop

Thermophysical properties for the masses

janaf

Python wrapper for NIST-JANAF Thermochemical Tables

thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

pyfluids

Simple, full-featured, lightweight CoolProp wrapper for Python

biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules

tespy

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.

thermosteam

BioSTEAM's Premier Thermodynamic Engine

neqsim

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.

atmoslib

Python library for atmospheric thermodynamics and microwave attenuation

pythermodb

Python Thermodynamics Databook to easily build and quickly access essential thermodynamic data.

pythermocalcdb

Python Thermodynamic Calculation Engine powered by PyThermoDB

blendpy

Computational toolkit for investigating thermodynamic models of alloys using first-principles calculations

pythermolinkdb

A Python interface for connecting PyThermoDB to other applications and integrating thermodynamic data.

ecape-parcel

A simple Python package that computes ECAPE values and parcel paths. Also includes irreversible adiabatic parcels, which are significantly different and more accurate than pseudoadiabatic parcels.

feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory

pythermodb-settings

PyThermoDB-Settings, providing robust, Pydantic-based data models and configuration structures.

encomp

General-purpose library for engineering calculations

exergyflow

Sankey and Grassmann diagrams for energy and exergy analysis.

polykin

A Python library for polymerization kinetics and related chemical engineering calculations.

pykingas

Implementation of the Revised Enskog Theory (RET) for computation of diffusion coefficients, thermal diffusion coefficients, viscosity and thermal conductivity using a range of different pair-potentials

hyddown

Hydrogen (or other pure species) depressurization calculations

primerserver2

PrimerServer2: a high-throughput primer design and specificity-checking platform

freepaths

Phonon Monte Carlo simulator

isingenerator

High-performance 2D Ising model Monte Carlo simulation with topological analysis