Local compositions in thermodynamic excess functions for liquid mixtures

Renon, H.; Prausnitz, John M.

doi:10.1002/aic.690140124

Cited by 6,204 publications

(4,375 citation statements)

References 16 publications

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“…The activity coefficients γ i in Eqs. (1) and (3), should be estimated using thermodynamic activity coefficient models adequate for partially miscible mixtures, such as the NRTL [19] or T-K-Wilson equations [21]; both were employed in this study ( Table 1). The temperature derived from the problem solution of Eqs.…”

Section: Mathematical Formulationmentioning

confidence: 99%

“…The liquid-phase activity coefficients for these five mixtures were estimated using the NRTL [19] and T-K-Wilson equations [21], with parameters adopted from the literature [7,8,27] ( Table 2). The parameters used for calculating the liquid molar volumes required for the T-K-Wilson equation…”

Section: Parameters Used In This Manuscriptmentioning

confidence: 99%

“…The original Wilson thermodynamic model [17] is not applicable for evaluating the liquid-phase activity coefficients for mixtures that exhibit a miscibility gap [18]. Unlike Wilson's equation, the NRTL [19] and UNIQUAC thermodynamic models [20] are applicable to both vapor-liquid and liquid-liquid equilibria [18]. The Wilson thermodynamic model was modified as T-K-Wilson thermodynamic model by Tsuboka and Katayama (1975) to be applicable to liquid-liquid equilibria [21].…”

Section: Introductionmentioning

confidence: 99%

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Flash-point prediction for binary partially miscible mixtures of flammable solvents

Liaw

Gerbaud

et al. 2008

Journal of Hazardous Materials

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Flash point is the most important variable used to characterize fire and explosion hazard of liquids. Herein, partially miscible mixtures are presented within the context of liquid-liquid extraction processes. This paper describes development of a model for predicting the flash point of binary partially miscible mixtures of flammable solvents.To confirm the predictive efficacy of the derived flash points, the model was verified by comparing the predicted values with the experimental data for the studied mixtures: methanol + octane; methanol + decane; acetone + decane; methanol + 2,2,4-trimethylpentane; and, ethanol + tetradecane. Our results reveal that immiscibility in the two liquid phases should not be ignored in the prediction of flash point. Overall, the predictive results of this proposed model describe the experimental data well. Based on this evidence, therefore, it appears reasonable to suggest potential application for our model in assessment of fire and explosion hazards, and development of inherently safer designs for chemical processes containing binary partially miscible mixtures of flammable solvents.

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Section: Mathematical Formulationmentioning

confidence: 99%

Section: Parameters Used In This Manuscriptmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Flash-point prediction for binary partially miscible mixtures of flammable solvents

Liaw

Gerbaud

et al. 2008

Journal of Hazardous Materials

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“…In this work, LLE data for ternary systems including ionic liquids from the references above have been correlated by the NRTL model (Renon and Prausnitz, 1968) for the activity coefficient. The ternary systems, together with the rms deviations between calculated and experimental compositions in both equilibrium liquid phases, are shown in Table 3.…”

Section: Introductionmentioning

confidence: 99%

Correlation of (liquid + liquid) equilibrium of systems including ionic liquids

Aznar

2007

Braz. J. Chem. Eng.

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-Ionic liquids are neoteric, environmentally friendly solvents (since they do not produce emissions) composed of large organic cations and relatively small inorganic anions. They have favorable physical properties, such as negligible volatility and wide range of liquid existence. Moreover, many different cations and anions can be used to synthesize ionic liquid, so the properties can be designed by the use of selected combinations of anions and cations. (Liquid + liquid) equilibrium (LLE) data for systems including ionic liquids, although essential for the design and operation of separation processes, are still scarce. However, some recent studies have presented ternary LLE data involving several ionic liquids and such organic compounds as alkanes, alkenes, alkanols, water, ethers and aromatics. In this work, LLE data for 24 ternary systems including ionic liquids from the literature are correlated by using the NRTL model for the activity coefficient. The results are very satisfactory, with rms deviations of about 1.4%.

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“…This paper also reports the theoretical studies on this system. NRTL [10] and UNIQUAC [11] models are used to correlate the phase equilibrium in the system using the interaction parameters determined from the experimental data.…”

Section: Introductionmentioning

confidence: 99%

Liquid-Liquid Equilibrium for System Composed of α-Pinene, α-Terpineol and Water

Utami¹,

Sutijan²,

Roto³

et al. 2013

IJCEA

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Abstract-The major component of turpentine is α-pinene and the main hydration product of α-pinene is α-terpineol. To obtain the optimal process design of α-terpineol production, some initial information regarding the principle of the thermodynamics and phase equilibrium are required. The aim of this paper is to present liquid-liquid equilibrium (LLE) of system containing α-pinene, α-terpineol and water. Ternary LLE for α-pinene, α-terpineol and water system was determined by experiment at the temperatures of 301, 327 and 353 K and atmospheric pressure. The three component mixture was stirred for about 30 min, then the mixture was left for about 2 h for complete phase separation. The composition of both phases was analyzed by using a Gas Chromatograph. The thermodynamic equilibrium models were proposed. LLE model in this study includes activity coefficient model based on NRTL and UNIQUAC models. The NRTL model (α = 0.2) correlates the LLE data for the system of α-pinene + α-terpineol + water at the temperatures 301, 327 and 353 K with RMSD of 0.5464%, 0.000169% and 0.0054%, respectively. The UNIQUAC model correlates the LLE data for the system of α-pinene + α-terpineol + water at the temperatures 301, 327 and 353 K with RMSD of 0.756%, 1.314% and 1.6615%, respectively. The LLE data for the system of α-pinene + α-terpineol + water were successfully correlated using the NRTL and UNIQUAC models at that temperatures.

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Local compositions in thermodynamic excess functions for liquid mixtures

Cited by 6,204 publications

References 16 publications

Flash-point prediction for binary partially miscible mixtures of flammable solvents

Flash-point prediction for binary partially miscible mixtures of flammable solvents

Correlation of (liquid + liquid) equilibrium of systems including ionic liquids

Liquid-Liquid Equilibrium for System Composed of α-Pinene, α-Terpineol and Water

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