Calculation of phase envelopes of fluid mixtures through parametric marching.

Abstract

Two-dimensional cross-sections of the phase envelopes of fluid mixtures—in particular isotherms, isobars, and isopleths—are often computed point-by-point by incrementing a so-called marching variable and solving the equilibrium conditions at each step. The marching variable is usually pressure, temperature, or a mole fraction, depending on the application. These isolines, however, can have rather complicated shapes, so that a simple unidirectional “sweep” of the marching variable often gives merely a part of the desired isoline. It is then necessary to restart the sweep with different initial values, or to switch to another marching variable. This, however, makes it difficult to compute complete isolines automatically, without human interference. We propose here a new marching technique through which it is possible to follow isolines of arbitrary shape and thus to compute complete isolines, as long as they are contiguous.