Thermodynamics and separation process for quaternary acrylic systems

Abstract

in Wiley Online Library (wileyonlinelibrary.com)Vapor-liquid equilibrium (VLE) and liquid-liquid equilibrium (LLE) data of binary and ternary acrylic systems were systematically measured. Subsequently, VLLE phase diagrams of binary systems, tridimensional VLE phase diagrams of methyl acrylate (MA)-methanol (Me)-H 2 O ternary system, and quaternary LLE phase diagrams of MA-Me-H 2 O-methyl acetate (MeOAc) system were constructed. These diagrams clearly demonstrated the effects of temperature on phase equilibrium. The experimental data was fitted by the NRTL and UNIQUAC models, and the best-fitted parameters were used to predict interaction properties of ternary and quaternary mixture. Therefore, the phase equilibrium data were provided as reference for the design of acrylic systems rectification or extraction process. Residue curve was mapped out for MA-Me-H 2 O system through Aspen plus software. Finally, using thermodynamics and residue curve as theoretical basis, two novel separation processes were proposed and applied to the quaternary acrylic systems. V C 2015 American Institute of Chemical Engineers AIChE J, 62: [228][229][230][231][232][233][234][235][236][237][238][239][240] 2016

Predicting NRTL binary interaction parameters from molecular simulations

“…However, s 21 calculated from simulation using Approach II is in line with that calculated by Zuo et al, 20 but differs from the values obtained by regressing experimental data in this work. However, s 21 calculated from simulation using Approach II is in line with that calculated by Zuo et al, 20 but differs from the values obtained by regressing experimental data in this work.…”

“…However, s 21 calculated from simulation using Approach II is in line with that calculated by Zuo et al, 20 but differs from the values obtained by regressing experimental data in this work. On the contrary, s from MD Approach II and the s determined by regressing experimental data (both this work and the work of Zuo et al 20 ) predict phase separation of the mixture. The values of ln c 1 ð Þ for methyl acrylate are reasonably consistent between the different methods used (MD simulation and data regression) while the infinite dilution activity coefficient of water is significantly different.…”

“…Note that the first hydration shell with methanol as the center molecule is slightly larger than the shell with water as the center molecule due to the difference in their molecular sizes. It can be noted that the interaction parameters found by regressing experimental data from two different sources (this work and literature 20 ), differ significantly in their magnitude. The ii and ji values in Eqs.…”

“…The horizontal lines are NRTL predictions using regressed parameters 20. [Color figure can be viewed at wileyonlinelibrary.com] Local mole fraction of methyl acrylate around methanol at different concentrations of methanol.…”

Design and optimization of the separation process of acrylic acid and corresponding esters from aqueous solution of formaldehyde–a systematic procedure

“…The complexity in separation of AA and its ester system is embodied in azeotropic mixtures . In recent years, many studies related to bianary, ternary, and quaternary azeotropic mixtures have been developed, which provided accurate thermodynamic data for separation. Besides thermodynamic data, several methods have developed to overcome this problem, such as pressurized distillation, azeotropic distillation, extraction, membrane separation, and so on .…”