mvdh7 / pytzer
The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
☆17Updated 3 months ago
Alternatives and similar repositories for pytzer:
Users that are interested in pytzer are comparing it to the libraries listed below
- ☆43Updated 6 months ago
- ☆92Updated 6 months ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated last month
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆52Updated 7 months ago
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆20Updated last year
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- Ideal Adsorbed Solution Theory☆52Updated 3 years ago
- Chemical Equilibrium Diagrams for aqueous systems☆23Updated last year
- Supplementary code for the Manuscript: "Thermodynamically-consistent machine-learning based Equation of State for the Mie fluid".☆9Updated last year
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆16Updated 2 months ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆16Updated 6 months ago
- ☆27Updated 2 years ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 9 months ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆45Updated 4 months ago
- Python API for NIST Chemistry WebBook☆37Updated 6 months ago
- A Python library for solution chemistry☆68Updated 2 weeks ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 8 months ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆60Updated 3 weeks ago
- Implementation of the UNIFAC model☆10Updated 4 years ago
- Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.☆41Updated 7 months ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆26Updated 5 years ago
- HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction☆16Updated 5 months ago
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆78Updated last week
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Updated 2 years ago
- Resources for teaching quantum chemistry courses in Bonn☆37Updated last week
- On-the-fly calculation of Transport Properties☆24Updated last year
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆33Updated last year
- Polymerization kinetics python package☆13Updated 3 weeks ago
- Thermodynamic Phase Diagram Generator☆53Updated 3 years ago