ignasi-p / eq-diagr
Chemical Equilibrium Diagrams for aqueous systems
☆22Updated last year
Alternatives and similar repositories for eq-diagr:
Users that are interested in eq-diagr are comparing it to the libraries listed below
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 2 years ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated this week
- ☆41Updated 2 months ago
- ☆87Updated 3 months ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆21Updated this week
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- Finite Element Method for Electrochemical Transport (EchemFEM)☆20Updated 2 months ago
- Scripts to calculate elastic properties from a set of strained structures☆17Updated 6 months ago
- A Python library for solution chemistry☆66Updated last week
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆14Updated 2 weeks ago
- Ideal Adsorbed Solution Theory☆49Updated 3 years ago
- A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation☆55Updated last week
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆15Updated 3 months ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆22Updated 5 months ago
- A code for calculating the standard state thermodynamic properties at a given temperature and pressure.☆26Updated 5 months ago
- Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web…☆18Updated 8 months ago
- Calculates the vapor-liquid equilibria (pressure versus temperature) phase envelope using Michelsen's continuation method.☆11Updated 2 years ago
- Thermodynamic stability calculation for mixed clathrate hydrates☆17Updated 6 years ago
- Useful Python modules for Thermodynamics and Thermochemistry☆33Updated 9 months ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆32Updated last year
- Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities☆29Updated this week
- A Python library for diffusion simulation and data analysis☆24Updated 5 years ago
- Thermopack is a thermodynamic model library for fluid properties and PVT calculations☆57Updated this week
- Python-Fortran bindings examples☆53Updated last month
- Jupyter notebooks for the Computing and Comunication skills 1st Year Materials Science Course at Manchester☆45Updated last year
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆51Updated 4 months ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated last year
- Up-scale python functions for high performance computing (HPC) with executorlib.☆15Updated this week
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆67Updated last month
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆30Updated last year