Measurement and correlation of the isobaric vapor-liquid equilibrium for mixtures of alcohol+ketone systems at atmospheric pressure

Seo, Myoung Do; Kim, Young Jo; Lim, Jong Sung; Kang, Jeong Won

doi:10.1007/s11814-011-0147-9

Cited by 12 publications

(18 citation statements)

References 14 publications

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“…Figure 4 represents the VLE of ethanol/n-butanol mixtures at p = 1.013 bar. It can be seen that the ideal and non-ideal methods (NRTL and UNIFAC) correlate very well with the experimental data from Seo et al 25 For binary mixtures of these two alcohols with n-hexane (n-alkane), the behavior is completely different. The VLE of ethanol/n-hexane and n-butanol/ n-hexane mixtures are depicted in Figures 5 and 6, respectively, at p = 1.013 bar.…”

Section: Vle Modelingsupporting

confidence: 71%

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The influence of differential evaporation on the structure of a three-component biofuel spray

Keller

Knorsch

Wensing

et al. 2015

International Journal of Engine Research

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A high-pressure spray injected under gasoline engine conditions in a constant volume chamber is studied in detail using a three-dimensional computational fluid dynamics approach. Both single-component and ternary mixture (n-alkane and alcohols) spray results are compared with the experimental data from shadowgraphy, Schlieren imaging and phaseDoppler anemometry. Activity coefficient models are used to cover non-ideal thermodynamic effects occurring when mixtures of structurally dissimilar components such as alcohols and n-alkanes are considered. Here, the non-random, two-liquid and universal quasi-chemical functional group activity coefficients methods are applied. A ternary mixture composed of ethanol, n-butanol and n-hexane representing the research octane number (RON 95) of gasoline is considered and investigated in detail. To illustrate the non-ideal mixture effects, first the binary mixtures ethanol/ n-butanol, n-butanol/n-hexane and ethanol/n-hexane are studied as subsets of the ternary mixture using a zerodimensional single-droplet evaporation solver. Introducing a differential evaporation factor for multicomponent mixtures, the mixture segregation is characterized. Additionally, a separation factor indicating which component depletes first (volatility) is presented for both binary and ternary mixtures. The zero-dimensional results are then correlated with the three-dimensional computational fluid dynamics simulation results. Looking at the vapor-liquid equilibria of the different binary mixtures, the non-ideal effects are identified. The evaporation behavior of the binary mixtures is compared with the ternary mixtures in terms of droplet lifetimes, temperature and mixture decomposition, where the latter is characterized with the differential evaporation factor and separation factor. These results are afterwards compared with the three-dimensional computational fluid dynamics simulations, which are validated against the experimental data for single-component sprays regarding the liquid and vapor penetration depths. Finally, in the ternary mixture, n-butanol is replaced with iso-octane, the most widely used gasoline surrogate, to illustrate the differential evaporation behavior for a mixture with a higher alkane content than the ternary mixture used for the experiments. Strong non-ideal effects causing significant changes in the vapor composition are presented, as well as changes in the characterization factors, differential evaporation factor and the separation factor, respectively. These results are compared with the single-droplet simulations.

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Section: Vle Modelingsupporting

confidence: 71%

“…Calculated VLE of ethanol/n-butanol mixtures compared with experimental data from Seo et al 25 at p = 1.013 bar.…”

Section: Resultsmentioning

confidence: 99%

The influence of differential evaporation on the structure of a three-component biofuel spray

Keller

Knorsch

Wensing

et al. 2015

International Journal of Engine Research

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“…Isobaric Vapor−Liquid Equilibrium Data for Prop-2-en-1-ol−Hexan-2-one and Prop-2-en-1-ol−4-Methyl-pentan-2-one Systems at 101.32 kPa a prop-2-en-1-ol (1)−hexan-2-one (2) prop-2-en-1-ol (1)−4-methyl-pentan-2-one (2) For the binary systems composed of alcohols and ketones, the high nonideal behavior could be attributed to the different natures of hydrogen bonds: alcohols contain a proton donor and an acceptor, whereas ketones only contain a proton acceptor. 26 Hence, the hydrogen bond energy between ketone and alcohol (11−13 kJ/ mol) 27 is much weaker than that between alcohol and alcohol (23−28 kJ/mol). 27 In addition, the conformity of the alcohol proton donor with the ketone proton acceptor decreases with the length of the alkyl group of alcohol, due to the interference of the alkyl group.…”

Section: Resultsmentioning

confidence: 99%

“…27 In addition, the conformity of the alcohol proton donor with the ketone proton acceptor decreases with the length of the alkyl group of alcohol, due to the interference of the alkyl group. 26 This could explain why prop-2-en-1ol/ketone binary mixtures showed the highest deviation from ideality in comparison to hexan-2-ol or 4-methyl-pentan-2-ol mixtures with the corresponding ketone. Regarding the mixtures containing branched chains, smaller deviations were observed in comparison with linear chains when prop-2-en-1-ol was present in the mixture.…”

Section: Resultsmentioning

confidence: 99%

“…Considering all of the systems, G E presents the following decreasing order: prop-2-en-1-ol/hexan-2-one > prop-2-en-1-ol/4-methyl-penta-2-one > 4-methyl-penta-2-one/4-methyl-penta-2-ol > hexan-2-one/hexan-2-ol > prop-2-en-1-ol/hexan-2-ol > prop-2-en-1-ol/4-methyl-penta-2-ol. For the binary systems composed of alcohols and ketones, the high nonideal behavior could be attributed to the different natures of hydrogen bonds: alcohols contain a proton donor and an acceptor, whereas ketones only contain a proton acceptor . Hence, the hydrogen bond energy between ketone and alcohol (11–13 kJ/mol) is much weaker than that between alcohol and alcohol (23–28 kJ/mol) .…”

Section: Resultsmentioning

confidence: 99%

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Isobaric Vapor–Liquid Equilibrium Data for Six Binary Systems: Prop-2-en-1-ol (1)–Hexan-2-ol (2), Prop-2-en-1-ol (1)–Hexan-2-one (2), Hexan-2-one (1)–Hexan-2-ol (2), Prop-2-en-1-ol (1)–4-Methyl-pentan-2-ol (2), Prop-2-en-1-ol (1)–4-Methyl-pentan-2-one (2), and 4-Methyl-pentan-2-one (1)–4-Methyl-pentan-2-ol (2) at 101.32 kPa

Vargas¹,

Katryniok²,

Araque³

2021

J. Chem. Eng. Data

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In this work, isobaric vapor−liquid equilibrium (VLE) measurements were conducted for the binary systems of prop-2-en-1-ol (1)−hexan-2-ol (2), prop-2-en-1-ol (1)−hexan-2-one (2), hexan-2-one (1)−hexan-2-ol (2), prop-2-en-1-ol (1)−4-methyl-pentan-2-ol (2), prop-2-en-1-ol (1)−4-methyl-pentan-2one (2), and 4-methyl-pentan-2-one (1)−4-methyl-pentan-2-ol (2) to assist with the design of the separation process by distillation. Measurements were determined using Fischer VLE 602 equipment at 101.32 kPa. The thermodynamic consistency of the measured VLE data was validated by modified Herington, Van Ness, pure component consistency, and Redlich−Kister total area tests. Moreover, data sets were correlated using the nonrandom two-liquid (NRTL), universal quasichemical (UNIQUAC), and Wilson thermodynamic models to obtain the binary interaction parameters using the Aspen Plus V11 commercial software. The root-mean-square deviations (RMSDs) of the equilibrium temperature (T) and the vapor mole fraction (y i ) were less than 0.24 and 0.0089, respectively, which indicate that these three thermodynamic models can be used to correlate the six binary systems and therefore they can be employed for the development and optimization of the separation process.

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Thermodynamics of molecular interactions in binary mixtures containing associated liquids

Rani

Maken

2013

Korean J. Chem. Eng.

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Measurement and correlation of the isobaric vapor-liquid equilibrium for mixtures of alcohol+ketone systems at atmospheric pressure

Cited by 12 publications

References 14 publications

The influence of differential evaporation on the structure of a three-component biofuel spray

The influence of differential evaporation on the structure of a three-component biofuel spray

Thermodynamics of molecular interactions in binary mixtures containing associated liquids

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