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American Chemical Society, The Journal of Physical Chemistry A, 41(118), p. 9712-9719, 2014

DOI: 10.1021/jp505404w

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Phase Transition Thermodynamics of Bisphenols

Journal article published in 2014 by José C. S. Costa, Juan Zenon Davalos, Luis M. N. B. F. Santos
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Herein we have studied, presented and analyzed the phase equilibria thermodynamics of a bisphenols (BP-A, BP-E, BP-F, BP-AP, and BP-S) series. In particular, the heat capacities, melting temperatures, vapor pressures at different temperatures as well as the standard enthalpies, entropies, and Gibbs energies of phase transition (fusion and sublimation) were experimentally determined. Also, we have presented the phase diagrams of each bisphenol derivative and investigated the key parameters related with the thermodynamic stability of the condensed phases. Comparing all the bisphenol derivatives at the same conditions, solids BP-AP and BP-S present lower volatilities (higher Gibbs energy of sublimation) and high melting temperatures due to the higher stability of their solid phases. Solids BP-A and BP-F present similar stability, whereas BP-E is more volatile. The introduction of -CH3 groups in BP-F (giving BP-E and BP-A) leads an entropic differentiation in solid phase, whereas in the isotropic liquids the enthalpic and entropic differentiations are negligible.