Modules

Legacy Thermodynamic routines Module for a cubic eos system, made with the intention to keep compatiblity with legacy codes but with a better structure. this should be later adapted into a simple oop system where an eos object stores the relevant parameters (or some functional oriented approach)

Yet Another Equation-Of-State (library)

This module holds the diferent ways of automatic differentiation

Subroutine to evaluate the consistency of thermodynamic models.

Consistency checks of Helmholtz free energy models (GeModel).

Phase boundaries line on the $PT$ plane calculation procedures.

Module used to calculate the saturation pressure of pure components at a given temperature.

Binary interaction parameters fitting problem.

Module to calculate saturation points

Implementation of Algower’s numerical continuation method.

yaeos thermodynamic models

$\alpha$ functions defined in the library.

Procedures of the core calculations of CubicEoS mixing rules.

This module contains the mixing rules that are based/similar to the mixing rules defined by Huron-Vidal

$G^E$ group contribution model parameters module.

UNIFAC parameters module

Set of different specialized solvers for different models

Phase stability related calculations.

yaeos Subtance module.

Module that wraps tapenade generated routines to calculate ! Ge and derivatives.