ignasi-p / eq-diagrLinks
Chemical Equilibrium Diagrams for aqueous systems
☆25Updated 2 years ago
Alternatives and similar repositories for eq-diagr
Users that are interested in eq-diagr are comparing it to the libraries listed below
Sorting:
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆26Updated last week
- ☆44Updated 5 months ago
- ☆100Updated 5 months ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 9 months ago
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆20Updated 8 months ago
- A Python library for solution chemistry☆70Updated 2 weeks ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 3 years ago
- Up-scale python functions for high-performance computing (HPC)☆54Updated this week
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated last year
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆21Updated 2 weeks ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- Pure python package for electrolyte equilibrium calculation☆33Updated 7 months ago
- Scripts to calculate elastic properties from a set of strained structures☆19Updated last year
- Useful Python modules for Thermodynamics and Thermochemistry☆38Updated 7 months ago
- Ideal Adsorbed Solution Theory☆59Updated 4 years ago
- TomFuller-electrochemistry / Python-Simulations-for-the-Education-of-Electrochemists-and-Electrochemical-EngineersSimulations primarily directed toward education, specifically developing intuition about how electrochemical systems behave.☆20Updated 4 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆22Updated last year
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆71Updated last week
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- Implementation of the UNIFAC model☆10Updated 5 years ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆75Updated this week
- Thermodynamic stability calculation for mixed clathrate hydrates☆20Updated 7 years ago
- A code for calculating the standard state thermodynamic properties at a given temperature and pressure.☆29Updated 2 months ago
- A Python package for multipole expansions of electrostatic or gravitational potentials☆44Updated 10 months ago
- Data structures, algorithms, and parsing for crystallography☆51Updated 9 months ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester☆47Updated 2 years ago
- Python-Fortran bindings examples☆54Updated 9 months ago