Coupled phase-reaction equilibrium for dihydromyrcene hydration system

The solvent usually forms a large part of the heterogeneous hydration mixture in the biphasic hydration of liquid olefins, and solvent selection greatly affects the hydration conversion. In this work, the hydration of dihydromyrcene (DHM) in two different solvents, i.e., acetone and 1,4-dioxane, was investigated experimentally and mathematically. A theoretical model coupling liquid–liquid phase equilibrium and reaction equilibrium is proposed for evaluating the effects of the solvent on the heterogeneous hydration of DHM. Experiments were performed to obtain unreported parameters for the phase equilibrium and reaction equilibrium and the conversion of DHM in biphasic hydration was then predicted by the coupled model. The effects of the mass feed ratios on the total conversion X of DHM are discussed and varying conversions were observed when different solvents were employed. DHM was more soluble in the acetone system than in 1,4-dioxane, and the conversion of the hydration reaction was higher. This predictive evaluation process based on the overall equilibrium could provide a practical strategy for selecting the optimal solvent for the heterogeneous hydration of DHM and other liquid olefins.