Isobaric low-pressure vapor–liquid equilibrium data of the system monochloroacetic acid+dichloroacetic acid+diethylene glycol dipentyl ether and the constituent binary systems

Eco‐efficient Separation of Mono‐ and Dichloroacetic Acid by Thermally Coupled Extractive Distillation

“…To develop the conceptual design and perform rigorous simulations, it is essential to have the right physical properties of the pure components (MCA, DCA, DGDP) as well as the vaporliquid equilibrium (VLE) data of the binary systems of MCA-DCA, MCA-DGDP, and DCA-DGDP. The experimental vapor pressure data for the pure components and VLE data for each binary system were obtained from the literature [28,29] describe the properties of non-ideal systems, such as MCA-DCA-DGDP, as reported previously [28]. The VLE can be modeled by using the chemical association theory for the vapor phase (namely, the Hayden-O'Connell (HOC) model) combined with activity description for the liquid phase (NRTL-HOC), in order to account for the dimerization of carboxylic acids in the vapor phase.…”

“…Tabs. 2 and 3 provide detailed information about the physical properties of the components used in the simulations, and the binary interaction parameters that were obtained by regression of experimental VLE data for the binary systems MCA-DCA, MCA-DGDP, and DCA-DGDP [11,28]. Fig.…”

“…Sensitivity analysis was performed, and the process conditions were optimized by minimizing the total annual cost (TAC) as the objective function (according to standard industrial practices): Figure 3. Vapor pressure data for MCA, DCA, and DGDP (experimental data from [28]).…”

“…The extended Antoine equation parameters are available in the Aspen Properties Pure32 databank (v8.8). The non‐random two‐liquid (NRTL) activity coefficient model can be used to describe the properties of non‐ideal systems, such as MCA‐DCA‐DGDP, as reported previously 28. The VLE can be modeled by using the chemical association theory for the vapor phase (namely, the Hayden‐O'Connell (HOC) model) combined with activity description for the liquid phase (NRTL‐HOC), in order to account for the dimerization of carboxylic acids in the vapor phase.…”

“…The Hayden‐O'Connell, the Nothnagel, or the Marek‐Standart correction should be used as appropriate, to account for the non‐ideality of the vapor phase 30. The chemical bonding term in the NRTL‐HOC model depends on the association parameter, set to 4.5 for acid dimerization 28. The solvent DGDP is an ether that does not form hetero‐ or homodimers with carboxylic acids in the vapor phase; hence, the parameter for ether‐ether or ether‐acid association was set to zero.…”