zmeri / PC-SAFTLinks
Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms
☆54Updated last year
Alternatives and similar repositories for PC-SAFT
Users that are interested in PC-SAFT are comparing it to the libraries listed below
Sorting:
- ☆44Updated 5 months ago
- ☆100Updated 5 months ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 3 years ago
- The database of chemical parameters used with Reaction Mechanism Generator☆116Updated this week
- HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction☆24Updated last month
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆22Updated last year
- A Benchmark Implementation of COSMO-SAC☆69Updated 4 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆66Updated 2 weeks ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 9 months ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆70Updated last week
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆26Updated 3 months ago
- A repository with examples on essential knowledge of chemical engineering.☆55Updated this week
- A framework for processing adsorption data and isotherm fitting☆77Updated 7 months ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆47Updated 3 months ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆75Updated last month
- Ideal Adsorbed Solution Theory☆58Updated 4 years ago
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- A Python library for solution chemistry☆71Updated last week
- A Python package for adsorption processes☆27Updated this week
- ARC - Automatic Rate Calculator☆46Updated last week
- Automated reaction pathway search for gas-phase molecules☆58Updated last week
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 7 years ago
- A curated list of online chemical engineering education resources☆164Updated 7 months ago
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆24Updated 3 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆38Updated 3 years ago
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆72Updated 6 months ago
- A software for Simulated Moving Bed (SMB) chromatographic processes☆10Updated 2 years ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆20Updated 8 months ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆18Updated last year
- Advanced Chemical Engineering Thermodynamics☆22Updated 7 years ago