부산대학교 도서관

In this work, we present the calculation of critical coordinates for the esterification of acetic acid with ethanol in compressed carbon dioxide. Determination of the critical pressure for this system is useful, since the conversion of this reaction increases with pressure in the two-phase region, reaching a maximum at the critical point. We used a calculation framework based on a coordinate transformation for molar fractions, producing a new compositional domain. For a system with five components (acetic acid + ethanol + ethyl acetate + water + carbon dioxide) and one equilibrium reaction, the compositional domain is entirely described by three independent transformed coordinates. The results obtained were compared with experimental observations presented in the literature. The results illustrate the capability of the framework used to determine critical coordinates for reactive systems, and thus its usefulness as a tool for pressure tuning for this esterification reaction in compressed carbon dioxide.