INVESTIGADORES
CISMONDI DUARTE Martin
congresos y reuniones científicas
Título:
Robust calculations of critical end lines of ternary systems
Autor/es:
PISONI, G. O.; CISMONDI DUARTE, MARTIN; ZABALOY, M.
Reunión:
Conferencia; IX Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design; 2012
Resumen:
A ternary critical end line (T-CEL) is a line of Ternary critical end points
(T-CEP). T-CELs provide key information on the phase behavior of ternary
systems. A ternary system may have several T-CELs. It is desirable to have
available a robust algorithm for computing complete ternary CELs, thus minimizing
the need for user intervention. It is also important to reliably detect the
key points where T-CELs originate or terminate. In this work, we propose to
apply a numerical continuation method (NCM) for the fast and robust computation
of T-CELs. As in other recent works, the present NCM makes use of a
sensitivity vector for predicting the solution of the T-CEP system of equations
and for identifying the optimum variable to be specified for calculating the next
point belonging to the T-CEL being built. We present calculated T-CELs for
a couple of highly asymmetric systems showing the topologies that these lines
define. We consider a model of the equation of state (EOS) type and use it over
wide ranges of conditions.