thermo
feos
| thermo | feos | |
|---|---|---|
| 2 | 2 | |
| 590 | 99 | |
| - | - | |
| 9.2 | 7.8 | |
| 6 months ago | 13 days ago | |
| Python | Rust | |
| MIT License | GNU General Public License v3.0 or later |
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thermo
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AbaCalc - Calculator for engineers, students & technicians
I’m doing similar things using an api with some Python tools in the background to do the heavy lifting with units and thermo/chemical calcs using the Caleb Bell’s libraries for thermo and fluids
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What are your favorite Python libraries?
fluids: Fluid dynamics ht: Heat Transfer chemicals: Chemical Data thermo: Phase Equilibrium (hasn't had a release in a while, but fairly complete)
feos
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How are Equations of State used to calculate thermophysical properties ?
There are other formulations of this, the V,T,Nᵢ is basically the Clapeyron.jl and FeoS formulation. other software that does this, teqp, uses a Vi,T instead, and uses Φ = A/V instead for their base function. (their paper says that it will replace REFPROP, and the author is one of the creators of REFPROP, so his words have weight in that regard).
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Automatic differentiation and thermodynamics with `num-dual` and `feos`
We are happy to announce num-dual and feos, two crates that we've been working on over the last years.
What are some alternatives?
CoolProp - Thermophysical properties for the masses
dwsim - DWSIM is a Steady-State and Dynamic Sequential Modular Chemical Process Simulator for Windows, Linux and macOS.
aizynthfinder - A tool for retrosynthetic planning
num-dual - Generalized (hyper-) dual numbers in rust
libRL - A Python library for characterizing Microwave Absorption
teqp - A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation
ScaffoldGraph - ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
bevy_xpbd - 2D and 3D physics engine based on Extended Position Based Dynamics for Bevy.
Machine-Learning-for-Asset-Managers - Implementation of code snippets, exercises and application to live data from Machine Learning for Asset Managers (Elements in Quantitative Finance) written by Prof. Marcos López de Prado.
Clapeyron.jl - Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC.
chemiscripts - translate ASCII chemical formulas into Unicode
physx-rs - 🎳 Rust binding for NVIDIA PhysX 🦀