Vapor−Liquid Equilibrium of Binary Mixtures Containing Methanol + Propyl Acetate, Methanol + Isopropyl Acetate, Vinyl Acetate + Propyl Acetate, and Vinyl Acetate + Isopropyl Acetate at 101.3 kPa

Resa, José M.; González, Cristina; Landaluce, Salomé Ortiz de; Lanz, Juan José

doi:10.1021/je0100342

Cited by 29 publications

(12 citation statements)

References 9 publications

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“…alcohols, esters, alkanes, ethers, ketones, amines, etc. The experimental density data of 271 binary mixtures was collected from the literature − and are reported in Table . The densities of 271 mixtures were reported at various mole fractions resulting in a total of 4679 mixture data points.…”

Section: Methodsmentioning

confidence: 99%

Application of QSPR to Mixtures

Ajmani

Rogers

Barley

et al. 2006

J. Chem. Inf. Model.

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In this paper we report an attempt to apply the QSPR approach for the analysis of data for mixtures. This is an extension of the conventional QSPR approach to the analysis of data for single molecules. The QSPR methodology was applied to a data set of experimental measured density of binary liquid mixtures compiled from the literature. The present study is aimed to develop models to predict the "delta" value of a mixture i.e., deviation of the experimental mixture density (MED) from the ideal, mole-weighted calculated mixture density (MCD). The QSPR was investigated in two perspectives (QMD-I and QMD-II) with respect to the creation of training and test sets. The study resulted in significant ensemble neural network and k-nearest neighbor models having statistical parameters r2, q2(10cv) greater than 0.9, and pred_r2 greater than 0.75. The developed models can be used to predict the delta and hence the density of a new mixture. The QSPR analysis shows the importance of hydrogen bond, polar, shape, and thermodynamic descriptors in determining mixture density, thus aiding in the understanding of molecular interactions important in molecular packing in the mixtures.

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Section: Methodsmentioning

confidence: 99%

Application of QSPR to Mixtures

Ajmani

Rogers

Barley

et al. 2006

J. Chem. Inf. Model.

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“…Continuing our research on behavior and selection of possible entrainers to separate the methanol + vinyl acetate azeotropic mixture by extractive distillation, such as butanol, 1 3-methyl-1-butanol, 2 butyl acetate and isobutyl acetate, 3 pentyl acetate and isopentyl acetate, 4 and propyl acetate and isopropyl acetate, 5 in this paper we will examine ethyl butyrate as the entrainer. We have measured vapor-liquid equilibria at 101.3 kPa for the methanol + ethyl butyrate and vinyl acetate + ethyl butyrate systems.…”

Section: Introductionmentioning

confidence: 99%

Density, Refractive Index, and Speed of Sound at 298.15 K, and Vapor−Liquid Equilibria at 101.3 kPa for Binary Mixtures of Methanol + Ethyl Butyrate and Vinyl Acetate + Ethyl Butyrate

et al. 2002

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Densities, refractive indices, and speeds of sounds at 298.15 K, and isobaric vapor-liquid equilibria data at 101.3 kPa were reported for the binary mixtures containing methanol + ethyl butyrate and vinyl acetate + ethyl butyrate. Excess molar volumes, refractive index deviations, and changes of speed sound on mixing were calculated from the measurement results and fitted with Redlich-Kister polynomials. VLE experimental data were satisfactorily tested for thermodynamic consistency by means of a modified Dechema test. The activity coefficients were correlated with the Margules, van Laar, UNIQUAC, NRTL, and Wilson equations. The ASOG model was also used for prediction.

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“…The associated variables and expressions are defined as follows: To assess the goodness of the equilibrium predictions from the model, Figure 1 compares the model-predicted vaporphase mole fraction (y) in equilibrium with the liquid-phase mole fraction (x) at 1 bar with overlaid experimental data points for the two binary pairs of MeOH−IPAc 19 and MeOH−water. 20 For the IPAc−water binary pair, experimen- tal liquid−liquid equilibrium data 21 is fitted.…”

Section: ■ Process Modelingmentioning

confidence: 99%

Synthesis, Design, and Control of an Azeotropic Distillation System for Methanol–Isopropyl Acetate Separation

Mishra

Kaistha

2018

Ind. Eng. Chem. Res.

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The existence of a minimum boiling homogeneous azeotrope precludes the separation of a methanol− isopropyl acetate (MeOH−IPAc) binary mixture into its constituent pure components using simple distillation. In this work, alternative separation processes for recovering pure MeOH and pure IPAc are synthesized. Three promising flowsheet alternatives, denoted as FS3a−c, are further analyzed for energy-efficient operation. The analyzed flowsheets use water as an entrainer for MeOH and consist of a liquid−liquid extractor (LLX) and three columns. The flowsheets differ in where the fresh feed is fed. The dominant design variables for the process are the entrainer (water) recirculation rate to the LLX and the number of extractive trays. A design steady state is obtained by adjusting these dominant variables for (near) minimum total reboiler duty. For the nominal equimolar binary fresh feed, FS3a is found to be significantly more energy efficient than the other two variants. A decentralized plantwide control system is synthesized for its recommended process design and is shown to reject large throughput and fresh feed composition changes. It is also shown that the flowsheet recommendation can change for extreme fresh feed compositions. Thus, for a MeOH-lean feed, FS3b is clearly superior, while, for a MeOH-rich feed, FS3c is superior. The recommended flowsheet, FS3a, is more energy-efficient over a large fresh feed composition range.

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Vapor−Liquid Equilibrium of Binary Mixtures Containing Methanol + Propyl Acetate, Methanol + Isopropyl Acetate, Vinyl Acetate + Propyl Acetate, and Vinyl Acetate + Isopropyl Acetate at 101.3 kPa

Cited by 29 publications

References 9 publications

Application of QSPR to Mixtures

Application of QSPR to Mixtures

Density, Refractive Index, and Speed of Sound at 298.15 K, and Vapor−Liquid Equilibria at 101.3 kPa for Binary Mixtures of Methanol + Ethyl Butyrate and Vinyl Acetate + Ethyl Butyrate

Synthesis, Design, and Control of an Azeotropic Distillation System for Methanol–Isopropyl Acetate Separation

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