Collect. Czech. Chem. Commun. 1985, 50, 23-32

The DAN method for calculation of vapour-liquid equilibria using an equation of state; Flash calculation

Josef P. Nováka, Vlastimil Růžička, Jr.a, Anatol Malijevskýa, Jaroslav Matouša and Jan Linekb

a Department of Physical Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
b Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol


A modification of the computational technique for flash calculations using an equation of state has been developed. The procedure consists in the double application of the Newton-Raphson method (DAN) to the set of equilibrium conditions. The algorithm is designed to minimize the number of iterations. It is, therefore, especially useful in successive calculations, where a family of solutions at slightly changing conditions is desired.