Vol.:(0123456789)
International Journal of Thermophysics (2021) 42:67
https://doi.org/10.1007/s10765-021-02815-y
1 3
Modeling of Phase Equilibria and Surface Tension
for N,N‑Dimethylcyclohexylamine + Alcohol Mixtures
at Diferent Temperatures
Ariel Hernández
1
· Reza Tahery
2
Received: 30 January 2021 / Accepted: 10 February 2021 / Published online: 11 March 2021
© The Author(s), under exclusive licence to Springer Science+Business Media, LLC part of Springer Nature 2021
Abstract
Surface tension and phase equilibria of N,N-dimethylcyclohexylamine (DMCA)
mixtures with alcohol (propanol, iso-propanol, butanol, and iso-butanol) were mod-
eled over the whole range of composition and diferent temperature ranging from
(288.15 to 308.15) K. The predictive results of the Peng–Robinson equation of state
with quadratic mixing rule indicated that the DMCA + alcohol mixtures are not aze-
otropic and that the bubble curve is linear, except for the DMCA + ethanol mixture.
The surface tension of the binary mixtures was modeled with linear gradient theory,
parachor method, Shereshefsky method, and Lamperski method. The linear gradient
theory used as adjustment approach improved the results of surface tension predic-
tion and correctly modeled this thermodynamic property for all mixtures, the fex-
ibility of parachor method as an adjustment approach improved the predictive results
for some mixtures, Shereshefsky method was able to successfully model the surface
tension of the DMCA + ethanol, DMCA + propanol, and DMCA + butanol mix-
tures, and Lamperski method was able to successfully model the surface tension of
the DMCA + propanol and DMCA + butanol mixtures, while the DMCA + ethanol
and DMCA + isobutanol mixtures had an acceptable statistical deviation. Further-
more, Lamperski method was the best predicted model to model surface tension of
the binary mixtures. Based on Shereshefsky model, the standard Gibbs energy of
adsorption and the free energy change in the surface region were calculated. The
free energy change was used to obtain the number of molecular layers in the surface
region. Also, with Shereshefsky method it was obtained that alcohol is not absorbed
at the surface which was also confrmed with Lamperski method. Finally, it is impor-
tant to note that phase equilibria and surface tension of the DMCA + alcohol mix-
tures is modeled with theoretical approaches for the frst time. On the other hand,
for future experimental measurements of phase equilibria, our results could serve as
an initial approximation of equilibrium, and the correlations obtained for the binary
parameters of the linear gradient theory and parachor method can be used to predict
surface tension at other temperatures outside the range 288.15 to 308.15 K.
Extended author information available on the last page of the article