mvdh7 / pytzer
The Pitzer model for chemical activities and equilibria in aqueous solutions in Python
☆17Updated 2 weeks ago
Alternatives and similar repositories for pytzer:
Users that are interested in pytzer are comparing it to the libraries listed below
- ☆41Updated 3 months ago
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 2 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated 2 weeks ago
- ☆87Updated 3 months ago
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆18Updated 9 months ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆51Updated 4 months ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated 5 months ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 6 months ago
- Ideal Adsorbed Solution Theory☆49Updated 3 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆15Updated 3 months ago
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆42Updated last month
- ☆26Updated 2 years ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆55Updated last week
- Pairwise interaction segment activity coefficients, reference implementation in Python☆14Updated 9 months ago
- Simulation methods for particle systems, materials, and complex fluids with fluctuating hydrodynamics approaches (stochastic immersed bou…☆11Updated last year
- The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms☆78Updated 3 weeks ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆32Updated last year
- Chemical Equilibrium Diagrams for aqueous systems☆22Updated last year
- Resources for teaching quantum chemistry courses in Bonn☆36Updated 7 months ago
- Python wrapper for packmol molecule packing program☆10Updated 9 years ago
- ☆10Updated last year
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆24Updated 5 years ago
- A Python library for solution chemistry☆66Updated this week
- ARC - Automatic Rate Calculator☆44Updated last week
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆14Updated 3 weeks ago
- Automated reaction pathway search for gas-phase molecules☆50Updated last week
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆29Updated this week
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Updated 2 years ago