Computation and analysis of surfaces and lines of three-phase equilibrium in ternary systems: Application illustrated for a CO2(1)+H2O(2)+2-propanol(3)-like system

PISONI, GERARDO O.; CISMONDI, MARTÌN; ZABALOY, MARCELO S.

FLUID PHASE EQUILIBRIA

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2018

0378-3812

Abstract: In this work the rich phenomenology of ternary three-phase equilibrium is studied in systems that present a highly complex behavior.This is done through computations carried out over wide ranges of conditions using a model of the equation of state type. A systematic identification of phase equilibrium objects (or points) from which ternary three-phase lines (T-3PLs) originate is performed. Such points are used to start the computation of a variety of T-3PLs. Several computed T-3PLs are used to visualize a number of ternary three-phase surfaces (T-3PSs). Besides, the boundaries of the T-3PSs are established. A strategy to start the calculation of a T-3PL is proposed for each type of originating point. In addition, with the aim of avoiding convergenceproblems, a numerical continuation method is used to calculate complete T-3PLs. The visualization of 3D projections of T-3PSs in the temperaturepressure-fugacity space is proposed. These way of looking at the T-3PSs is of much help in the understanding on how they behave and interrelate. The results suggest, among other interesting conclusions, the possibility of continuous transitions from T-3PSs of a given type to T-3PSs of a different type.