INVESTIGADORES
ZABALOY Marcelo Santiago
congresos y reuniones científicas
Título:
A theoretical study on the simultaneous vapor liquid and chemical equilibria in a highly restricted system (T284))
Autor/es:
MOLINA, MATÍAS J.; RODRIGUEZ-REARTES, SABRINA BELÉN; ZABALOY, MARCELO SANTIAGO
Lugar:
Nova Friburgo
Reunión:
Congreso; X Congresso Brasileiro de Termodinâmica Aplicada (CBTermo 2019); 2019
Institución organizadora:
Universidade do Estado do Rio de Janeiro (UERJ)
Resumen:
In this work, the isomerization reaction of n-butane (C4) to isobutane (iC4) in the absence of inert components is studied with the help of a model, in a relatively wide pressure range, both, under single fluid phase conditions and under vapor-liquid equilibrium conditions. In this last case the phase and chemical equilibrium are solved simultaneously. This binary system was chosen because of the low number of degrees of freedom that it has, according to the phase rule for reactive systems. It has only one degree of freedom under vapor-liquid conditions, and only two degrees of freedom under single fluid phase conditions. Such high level of restriction leads to a peculiar behavior that provides interesting insights, in particular on the simultaneous chemical and phase equilibrium. The C4 + iC4 system is represented in this work by the Soave-Redlich-Kwong equation of state coupled to quadratic mixing rules with zero interaction parameters. The set of equations for the computation of a binary biphasic reactive point arises from imposing the isofugacity condition for both components, and the chemical equilibrium condition for the isomerization reaction. The resulting computed fluid phase equilibrium characteristic map of the reactive system is made of a single univariant vapor-liquid equilibrium line. Such line ends at the only reactive vapor-liquid critical point that the system has. Some monophasic reactive isochores (or isotherms) were computed by solving the corresponding PVT-composition relationship, together with the chemical equilibrium condition, at constant global mass density (or temperature). The reactive isochores have been found to have homogeneous segments for which the pressure is roughly a linear function of temperature, as it happens for stable pure compounds. The obtained computation results show that for this system the conversion can be changed just by modifying the overall density, while keeping the temperature and the pressure at constant values.