Methodology for process modelling of supercritical fluid fractionation processes illustrated for the separation of alkane/alcohol isomer mixtures using CO2

Zamudio, M.; Schwarz, C.E.; Knoetze, J.H.

doi:10.1016/j.supflu.2015.07.004

Cited by 7 publications

(3 citation statements)

References 20 publications

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“…Fortunately, several commercial simulators, e.g., Aspen Plus, have a wide spectrum of thermodynamic models from which to choose. 9 The purpose of evaluating, selecting, and improving thermodynamic models found in Aspen Plus is to ultimately end with a working process model, such as that designed by Zamudio et al 10 Over the last several decades, various new excess Gibbs (G E ) mixing rules have been developed, optimized, and incorporated into Aspen Plus 11−13 to enable vapor−liquid equilibrium (VLE) predictions at high and low temperatures or pressures as well as for supercritical compounds. As a result, predictive models are becoming increasingly popular for correlating thermodynamic properties and predicting phase equilibria data.…”

Section: Introductionmentioning

confidence: 99%

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Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

Ferreira

Schwarz

2018

J. Chem. Eng. Data

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New subatmospheric vapor−liquid equilibrium (VLE) data for five binary 1-alcohol + n-alkane systems are presented. An all-glass dynamic recirculating still was used to measure the phase behavior of the 1-pentanol + n-nonane, 1-hexanol + n-decane, 1-heptanol + n-undecane, 1-octanol + n-dodecane, and 1-decanol + n-tetradecane systems at 40 kPa. Each of the five systems displayed an azeotrope, indicating complex molecular interactions. Thermodynamic modeling was conducted with (1) the NRTL activity coefficient model, (2) the predictive Soave− Redlich−Kwong (PSRK) group contribution equation of state (EoS) with original UNIFAC model parameters, and (3) PSRK with newly regressed NRTL parameters. The models, in order of decreasing performance, were NRTL > PSRK (with UNIFAC) > PSRK (with NRTL). Therefore, the PSRK with UNIFAC parameters G E -EoS investigated in this article showed that accurate 1-alcohol + n-alkane VLE data can be predicted without the need to first measure experimental data.

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Section: Introductionmentioning

confidence: 99%

“…Fortunately, several commercial simulators, e.g., Aspen Plus, have a wide spectrum of thermodynamic models from which to choose . The purpose of evaluating, selecting, and improving thermodynamic models found in Aspen Plus is to ultimately end with a working process model, such as that designed by Zamudio et al…”

Section: Introductionmentioning

confidence: 99%

Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

Ferreira

Schwarz

2018

J. Chem. Eng. Data

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“…Such a process runs at mild temperatures (typically 310–370 K) and the solvent is readily removed from the product stream. It has previously been shown that such a technique is technically possible on pilot plant scale. − However, further studies into this separation technique require detailed phase equilibria data for both alkanes and alcohols with CO 2 in a suitable temperature range. The literature is abundant with studies on the phase behavior of CO 2 + alkanes (see the reviews of Dohrn and co-workers − ) but for the CO 2 + 1-alcohol homologous series the literature is at times lacking.…”

Section: Introductionmentioning

confidence: 99%

High Pressure Phase Behavior of the Homologous Series CO₂ + 1-Alcohols

Schwarz

2018

J. Chem. Eng. Data

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The phase behavior of the supercritical CO 2 + 1-alcohol homologous series for 1-octanol and higher alcohols is investigated. A literature survey revealed that sufficient data are available lower alcohols (1-decanol and lower) but data are limited for higher 1-alcohols. Data for CO 2 + 1-dodecanol, CO 2 + 1-tetradecanol, and CO 2 +1-hexadecanol were thus measured using a visual static synthetic method for T = 313− 353 K. Measured and literature data indicated that the phase transition pressures are very high (>28 MPa) for CO 2 + 1decanol and higher alcohols in the mixture critical region. Additionally, a temperature inversion (increasing temperature leading to decreasing phase transition pressure) is present in the mixture critical region and is more pronounced in systems containing higher 1-alcohols. The temperature inversion is postulated to result from the formation of alcohol multimers due to hydrogen bonding between alcohol molecules. From the phase behavior data as well as published upper critical end point and solid−liquid−liquid−vapor equilibria data, Type III phase behavior according to the classification of Scott and van Konynenburg is assigned to the systems CO 2 + 1-octanol to CO 2 + 1tetradecanol. However, for higher alcohols additional investigations are required to assign a phase behavior type. This systematic study hopes to aid future thermodynamic modeling attempts to describe the complex phase behavior of CO 2 + 1-alcohol systems.

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Toward high-performance associative extraction by forming deep eutectic solvent: A component pairing and mechanism study

Wang

Cui

et al. 2023

Chemical Engineering Science

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Methodology for process modelling of supercritical fluid fractionation processes illustrated for the separation of alkane/alcohol isomer mixtures using CO2

Cited by 7 publications

References 20 publications

Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

High Pressure Phase Behavior of the Homologous Series CO₂ + 1-Alcohols

Toward high-performance associative extraction by forming deep eutectic solvent: A component pairing and mechanism study

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Methodology for process modelling of supercritical fluid fractionation processes illustrated for the separation of alkane/alcohol isomer mixtures using CO2

Cited by 7 publications

References 20 publications

Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

Low-Pressure VLE Measurements and Thermodynamic Modeling, with PSRK and NRTL, of Binary 1-Alcohol + n-Alkane Systems

High Pressure Phase Behavior of the Homologous Series CO2 + 1-Alcohols

Toward high-performance associative extraction by forming deep eutectic solvent: A component pairing and mechanism study

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Product

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High Pressure Phase Behavior of the Homologous Series CO₂ + 1-Alcohols