What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions

Abstract

The adequate correlation of experimental phase equilibrium data by using any thermodynamic model represents a key point for the rigorous design of the chemical processes. However, this data correlation process remains a challenging problem, due to the high nonlinearity of the models used and the consequent problems of convergence. The present work analyzes the NRTL model to check the relation between the values of the binary interaction parameters and the corresponding phase equilibria that the NRTL model can or cannot reproduce. Additionally, in the case of the LLE, empirical equations have been established as a function of the non-randomness parameter, to model the trajectory of the different miscibility boundaries observed. These functions can be used as constraints in the experimental data correlation procedure to reduce the search space and guarantee the consistency of the obtained binary interaction parameters with the experimental behavior of the system under study.