PORTO, G. A.; http://lattes.cnpq.br/9461861976937550; PORTO, Gerson Antas.
Abstract:
Several predictive models were used for the
obtaining coefficients of activity the infinite dilution of
binary systems formed by dimethylformamide (DMF) and
acetonitrile with hydrocarbons.
The predictive abilities of the models were investigated.
contribution from ASOG groups and various versions of UNIFAC,
for predicting activity coefficients of the above systems
cited. We also studied the original MOSCED models and
modified by Wen-Teh Chen as well as introduced small
modifications in order to improve the quality of the
predictions. Notably, we have tried to improve the adjustment of
(x, a and P), with the temperature as well as the
asymmetry parameters in order to decrease the under prediction
of the coefficients of activity at infinite dilution, observed with the original versions.
The y ° s obtained with the various predictive models
studied, were used to obtain
binary interaction models of Van Laar (26), Margules (27),
Wilson (1), NRTL (2) and UNIQUAC (3). These parameters were
tested in the liquid-vapor equilibrium calculation of systems
formed by DMF and acetonitrile with hydrocarbons. The
results obtained were extremely satisfactory,
proving the extreme utility of predictive models of
coefficients of liquid phase activity and utilization
of these coefficients to obtain binary parameters.
