Thermodynamic analysis of vapor-phase condensation of acetone to 3,5-dimethylphenol system was carried out. The reaction process was divided into three stages according to the production and reaction mechanism: acetone aldol condensation, 1,6-Michael addition reaction of acetone and mesityl, isophorone aromatization. By using Benson group contribution method, partial unknown parameters of thermodynamics were estimated, the enthalpy changes, Gibbs free energy changes and equilibrium constant of each reaction system were calculated in detail as a function of temperature. The results showed that at 373~973 K, three reactions are spontaneous and the process of making mesityl oxide into isophorone is exothermic reaction. The reaction of making acetone into mesityl oxide is virtually irreversible but isophorone into 3,5-xylenol is limited by thermodynamic equilibrium.
Kang LUO Youde YANG Lei SU Yue PAN Liyu CHEN
. Thermodynamic Analysis on Synthesis of 3,5-Dimethylphenol by Vapor-phase Condensation of Acetone[J]. The Chinese Journal of Process Engineering, 2017
, 17(4)
: 797
-803
.
DOI: 10.12034/j.issn.1009-606X.216301
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