Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids. II. Cross-Associating Systems

Jiri Janecek 1 Patrice Paricaud 1, *
* Auteur correspondant
Abstract : 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.
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Journal of Physical Chemistry B, American Chemical Society, 2013, 117, pp.9430-9438. 〈10.1021/jp4012125〉
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Jiri Janecek, Patrice Paricaud. Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids. II. Cross-Associating Systems. Journal of Physical Chemistry B, American Chemical Society, 2013, 117, pp.9430-9438. 〈10.1021/jp4012125〉. 〈hal-01058133〉

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