Phasepy is an open-source scientific Python package for calculation of physical properties of phases at thermodynamic equilibrium . Main application areas include computation of fluid phase equilibria and interfacial properties. Phasepy includes routines for calculation of vapor-liquid equilibrium (VLE), liquid-liquid equilibrium (LLE) and vapor-liquid-liquid equilibrium (VLLE). Phase equilibrium can be modelled either with *the continous approach*, using a combination of a cubic equation of state (EoS, e.g. Van der Waals, Peng-Robinson, Redlich-Kwong, or their derivatives) model and a mixing rule (Quadratic, Modified Huron-Vidal or Wong-Sandler) for all phases, or *the discontinuous approach* using a virial equation for the vapor phase and an activity coefficient model (NRTL, Wilson, Redlich-Kister, UNIQUAC or Dortmund Modified UNIFAC) for the liquid phase(s).
Interfacial property estimation using the continuous phase equilibrium approach allows calculation of density profiles and interfacial tension using the Square Gradient Theory (SGT). Phasepy supports fitting of model parameter values from experimental data.
$ sudo apt-get update
$ sudo apt install build-essential
$ sudo apt install gcc
$ sudo apt install gcc-multilib
$ sudo apt install g++
$ sudo apt install g++-multilib
Get the latest version of phasepy from
An easy installation option is to use Python pip:
$ pip install phasepy
$ git clone https://github.com/gustavochm/phasepy
