OpenSAFT.jl

OpenSAFT provides a framework for the development and use of the Statistical Associating Fluid Theory (SAFT) family of equations.
Author ypaul21
Popularity
14 Stars
Updated Last
1 Year Ago
Started In
May 2020

DOI

OpenSAFT_logo

Welcome to OpenSAFT! This module intends to provide the variants of the Statistical Associating Fluid Theory (SAFT) thermodynamic equation of state, along with the relevant parameters and solvers required to use these equations.

Check out the Jupyter notebooks in the examples directory to see how to set up your model.

SAFT equations of state currently available:

EoS Seg./Mono.? Chain? Assoc.? Parameters?
SAFT ✔️ ✔️ ✔️ ✔️
CK-SAFT
sSAFT
LJ-SAFT
PC-SAFT ✔️ ✔️ ✔️ ✔️
sPC-SAFT ✔️ ✔️ ✔️ ✔️
SAFT-VR SW
soft-SAFT
SAFT-VR Mie ✔️ ✔️ ✔️ ✔️
SAFT-VR Morse

For group contribution approaches, we provide:

EoS Seg./Mono.? Chain? Assoc.? Parameters?
sPC-SAFT
SAFT-ɣ SW
SAFT-ɣ Mie

Properties available:

  • Bulk, single-phase properties:
Property Available?
Volume ✔️
Pressure ✔️
Entropy ✔️
Internal Energy ✔️
Enthalpy ✔️
Gibbs free energy ✔️
Helmholtz free energy ✔️
Isochoric heat capacity ✔️
Isobaric heat capacity ✔️
Isentropic compressibility ✔️
Isothermal compressibility ✔️
Isobaric (cubic) expansivity ✔️
Speed of sound ✔️
Joule-Thomson coefficient ✔️
  • Two-phase properties:
Property Available?
Saturation pressure ✔️
Bubble pressure
Dew pressure
Bubble temperature
Dew temperature
Enthalpy of vapourisation ✔️
  • Critical properties (pure components only):
Property Available?
Critical temperature ✔️
Critical pressure ✔️
Critical volume ✔️

We will also provide a Tp-flash algorithm (Rachford-Rice and HELD alogrithm).

Note that at its current stage, OpenSAFT is still in the very early stages of development, and things may be moving around or changing rapidly, but we are very excited to see where this project may go!

Installing OpenSAFT

OpenSAFT is not yet in the JuliaHub (but it will be soon!).

To load OpenSAFT, launch Julia with

> julia

Hit the ] key to enter Pkg mode, then type

Pkg> add git@github.com:ypaul21/OpenSAFT.jl.git