10.1021/jp4012125.s001
Jiří Janeček
Jiří
Janeček
Patrice Paricaud
Patrice
Paricaud
Influence of Cyclic Dimer Formation on the Phase Behavior
of Carboxylic Acids. II. Cross-Associating Systems
American Chemical Society
2013
Cyclic Dimer Formation
dimer association scheme
dew point curves
carboxylic acids
2 B association model
mixture
DBD association contribution
II
compound
vapor
2013-08-15 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Influence_of_Cyclic_Dimer_Formation_on_the_Phase_Behavior_of_Carboxylic_Acids_II_Cross_Associating_Systems/2386393
The
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.