VLE and LLE Data Set for the System Cyclohexane + Cyclohexene + Water + Cyclohexanol + Formic Acid + Formic Acid Cyclohexyl Ester

Abstract

The six-component system cyclohexene + water + cyclohexanol + cyclohexane + formic acid + formic acid cyclohexyl ester is currently being studied with the aim of carrying out the reaction of cyclohexene and water to cyclohexanol in a reactive distillation (RD) column. Because the direct reaction path of cyclohexene hydration is strongly limited by slow reaction rates with the known catalysts, an intermediate ester-formation step with formic acid was included in the studies. The challenge that this six-component system poses for a reactive separator such as an RD column lies in the liquid−liquid phase splitting behavior. This adds a third effect besides reaction and distillation. Cyclohexane is included in these studies to represent any inert C6 components present under industrial conditions. To be able to design an RD column, measurements were conducted of the liquid−liquid and vapor−liquid equilibria, and appropriate NRTL parameters matching both vapor−liquid and liquid−liquid phase splitting behavior we...