jp4012125_si_001.pdf (48.4 kB)
Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids. II. Cross-Associating Systems
journal contribution
posted on 2013-08-15, 00:00 authored by Jiří Janeček, Patrice ParicaudThe
doubly bonded dimer association scheme (DBD) proposed by Sear
and Jackson is extended to mixtures exhibiting both self- and cross-associations.
The PC-SAFT equation of state is combined with the new DBD association
contribution to describe the vapor–liquid equilibria of binary
mixtures of carboxylic acids + associating compounds (water, alcohols,
and carboxylic acids). The effect of doubly bonded dimers on the phase
behavior in such systems is less important than in mixtures of carboxylic
acids with nonassociating compounds, due to the cross-associations
that compete with the formation of DBDs. Nevertheless, a clear improvement
in the description of vapor–liquid coexistence curves is achieved
over the classical 2B association model, particularly for the dew
point curves.