Vapor- liquid equilibrium for the n-dodecane + phenol and n-hexadecane + phenol systems at 523 K and 573 K

Dahal, Roshi; Uusi–Kyyny, Petri; Pokki, Juha-Pekka; Alopaeus, Ville

doi:10.1016/j.fluid.2021.112991

Cited by 9 publications

(9 citation statements)

References 24 publications

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“…HTHP VLE in binary systems of phenol. Points–experimental data. − , Solid lines–CP-PC-SAFT with k 12 = 0.023, dotted-dashed lines–CS-SAFT-VR-Mie with k 12 = −0.028.…”

Section: Resultsmentioning

confidence: 99%

“…The relevant experimental data sets are available for the systems of phenol, m -cresol, 2-methoxyphenol (guaiacol), aniline, acetophenone, benzaldehyde, pyridine, and several additional nitrogen- and oxygen-containing aromatic compounds. In particular, the high-temperature and high-pressure (HTHP) VLE data on the systems of phenol with propane, n -alkanes, − benzene, and gases have been reported. In addition, the atmospheric pressure LLE data on n -alkanes–phenol − and iso -alkanes–phenol were published.…”

Section: Introductionmentioning

confidence: 99%

“…The current study expands that approach and compares the predictive capabilities of two models, namely, the simplest CP-PC-SAFT version and the SAFT of Variable Range and Mie Potential parametrized by a Corresponding States approach of Mejía et al , (CS-SAFT-VR-Mie), which also ignores association and polarity. These models are applied for estimating the challenging VLE and LLE data − in 74 binary systems of phenol, m -cresol, 2-methoxyphenol, 2-phenylethanol, 2-ethylphenol, pyridine, aniline, benzylamine, o -toluidine, acetophenone, and benzaldehyde with hydrocarbons, nitrogen, and carbon monoxide, using the universal k 12 values. In the cases of both models, these values were evaluated for the HTHP VLE of the propane(1)–phenol(2) system …”

Section: Introductionmentioning

confidence: 99%

“…It was demonstrated that the 1st model attached by a 2B association scheme for aniline yields a smaller overestimation of the UCST data than the 2nd one, with both 2B and 3B schemes. Recently, Dahal et al 4 found that the simple Peng-Robinson EoS with k 12 = 0 yields a more accurate description of VLE in the systems of phenol with n-dodecane and n-hexadecane than the PC-SAFT model with the 2B association scheme and pure compound parameters fitted to the experimental vapor pressure and volumetric data. At the same time, PC-SAFT exhibits a better performance with non-zero system-specific k 12 values.…”

Section: ■ Introductionmentioning

confidence: 99%

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Comparison of CP-PC-SAFT and CS-SAFT-VR-Mie in Predicting Fluid Phase Behavior in Systems of Phenolic Compounds, Aromatic Amines, Acetophenone, and Benzaldehyde

Polishuk

Cea-Klapp

Garrido

et al. 2023

Ind. Eng. Chem. Res.

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This study compares the capabilities of the Critical Point-based Revision of PC-SAFT (CP-PC-SAFT) and the Corresponding States-based SAFT of Variable Range and Mie Potential (CS-SAFT-VR-Mie) to simultaneously predict VLE, LLE and critical data available for 74 binary systems of phenol, m-cresol, 2-methoxyphenol, 2-phenylethanol, 2-ethylphenol, pyridine, aniline, benzylamine, o-toluidine, acetophenone, and benzaldehyde with nitrogen, carbon monoxide, methane, ethane, propane, n-alkanes, isoalkanes, and other hydrocarbons. For both models, the universal k 12 values adjusted to the VLE data of the system propane(1)−phenol(2) were applied. It was found that these models yield comparable and, in most cases, accurate estimations of vapor pressures and the pure compound saturated liquid densities. However, CP-PC-SAFT is superior in predicting the high-pressure density and sound velocity data. CS-SAFT-VR-Mie is able to predict the VLE data fairly accurately in most of the considered cases. However, it establishes an unrealistic transitional behavior from Type I to Type II via Type VI, which seriously affects its predictions of LLE. CP-PC-SAFT exhibited better overall reliability. In particular, in most cases. it is superior in estimating VLE and yields reasonably accurate predictions of the upper critical solution temperatures. According to the global analysis performed in this study, these results could probably be attributed to the obeying of the pure compound T c and P c . At the same time, CP-PC-SAFT systematically underestimates the widths of the LLE phase splits and, as a result, yields inaccurate predictions of the alkane-rich phases.

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“…HTHP VLE in binary systems of phenol. Points–experimental data. − , Solid lines–CP-PC-SAFT with k 12 = 0.023, dotted-dashed lines–CS-SAFT-VR-Mie with k 12 = −0.028.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Comparison of CP-PC-SAFT and CS-SAFT-VR-Mie in Predicting Fluid Phase Behavior in Systems of Phenolic Compounds, Aromatic Amines, Acetophenone, and Benzaldehyde

Polishuk

Cea-Klapp

Garrido

et al. 2023

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

show abstract

“…Single data point of vaporpressure at 298 K is reported in this paper for a propane + phenol system. Previously, VLE and LLE properties of binary mixtures containing phenol were reported for high n-alkanes such as n-butane, 11 n-hexane, 8,34,35 cyclo-hexane, 8 n-heptane, 36,37 n-octane, 13,15,36,37 n-decane, 14,15,37 dodecane, 13,37 hexadecane, 37 and aromatic hydrocarbons toluene and benzene. 38,39 Suëhnel et al 11 (see also the same data in Preuss and Moerke 40 ) studied VLE properties of an n-butane + phenol binary mixture closely related to the propane + phenol system studied in the present work.…”

Section: Introductionmentioning

confidence: 99%

Measurements of Isothermal Vapor–Liquid Equilibrium and Critical Point-Based Perturbed-Chain Statistical Association Fluid Theory Phase Behavior Modeling of the Propane + Phenol and Tetracosane + Propane/n-Butane Mixtures

et al. 2022

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The isothermal vapor−liquid equilibrium (VLE, pressure, temperature, and composition of coexisting vapor and liquid phases, PTxy) was directly determined using a high-pressure optical cell for binary propane + phenol and ternary tetracosane + propane/n-butane systems. Measurements were carried out at three selected isotherms of 383.15, 403.15, and 423.15 K at pressures from 0.94 to 14.5 MPa for propane + phenol and 403.15, 423.15, and 443.15 K at pressures up to 7.5 MPa for tetracosane + propane/n-butane systems. The critical property data (T C and P C ) for both mixtures have been derived from the measured VLE data. Based on the initial slopes of the critical lines (shape of the critical lines), the qualitative behavior (pure-and mixture-like behavior) of the isochoric heat capacity (C Vx , weak singular property), isobaric heat capacity (C Px ), and isothermal compressibility (K Tx , strong singular property) of the propane + phenol binary mixture near the critical point has been studied. It is demonstrated that the simplest version of critical point-based perturbed-chain statistical association fluid theory neglecting the complex molecular background of phenol yields reasonably accurate predictions of its pure compound properties. With the value of k 12 obtained by fitting the present data of propane + phenol, this model yields reliable predictions for VLE in the systems of other n-alkanes, benzene, carbon monoxide, and nitrogen.

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Conceptual design of a distillation process for the separation of styrene monomer from polystyrene pyrolysis oil: experiment and simulation

Dahal

Uusi–Kyyny

Pokki

et al. 2023

Chemical Engineering Research and Design

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Vapor- liquid equilibrium for the n-dodecane + phenol and n-hexadecane + phenol systems at 523 K and 573 K

Cited by 9 publications

References 24 publications

Comparison of CP-PC-SAFT and CS-SAFT-VR-Mie in Predicting Fluid Phase Behavior in Systems of Phenolic Compounds, Aromatic Amines, Acetophenone, and Benzaldehyde

Comparison of CP-PC-SAFT and CS-SAFT-VR-Mie in Predicting Fluid Phase Behavior in Systems of Phenolic Compounds, Aromatic Amines, Acetophenone, and Benzaldehyde

Measurements of Isothermal Vapor–Liquid Equilibrium and Critical Point-Based Perturbed-Chain Statistical Association Fluid Theory Phase Behavior Modeling of the Propane + Phenol and Tetracosane + Propane/n-Butane Mixtures

Conceptual design of a distillation process for the separation of styrene monomer from polystyrene pyrolysis oil: experiment and simulation

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