Liquid-liquid equilibria in binary mixtures of N-methyl-α-pyrrolidone and saturated hydrocarbons

Malanowski, Stanisław K.; Bittrich, H.‐J.; Lempe, D.A.; Reinhardt, Kristin; Wüstling, J.-U.

doi:10.1016/0378-3812(94)80094-4

Cited by 5 publications

(5 citation statements)

References 8 publications

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“…At the Points�experimental data. [1][2][3][4][5]10,11,13 Black solid line�predictions of CP-PC-SAFT with k 12 = 0.023, blue dashed line�predictions of PC-SAFT parametrized by van Niekerk et al 44 with k 12 = 0.011, red dotted−dashed line�of PC-SAFT parametrized by Razavi et al 45 with k 12 = 0.017, and pink dotted--dotted−dashed line�predictions of PC-SAFT parametrized by Alcalde et al 5 with k 12 = 0.042. beginning, these values are used to estimate phase equilibria in all other NMP systems considered. Figure 3 demonstrates that despite some scattering of results, CP-PC-SAFT is capable of predicting the general tendency established by UCEPs/UCSTs in the homologue series of n-alkane−NMP.…”

Section: ■ Resultsmentioning

confidence: 99%

“…LLVE the systems n -butane(1)– and n -pentane(1)–NMP(2) and atmospheric pressure LLE in systems of n -alkanes from n -hexane(1) and until n -hexadecane(1)–NMP(2). Pointsexperimental data: ◐ n -butane(1), ◑ n -pentane(1), − ◓ n -hexane(1), ,− ◒ n -heptane(1), − ,− ⊕ n -octane(1), − ⊞  n -decane(1), ,, and ⊙ n -hexadecane(1). , Solid linespredictions of CP-PC-SAFT with k 12 = 0.023, dashed linespredictions of PC-SAFT parametrized by van Niekerk et al . with k 12 = 0.011, dotted–dashed linespredictions of PC-SAFT parametrized by Razavi et al with k 12 = 0.017, and dotted–dotted–dashed linespredictions of PC-SAFT parametrized by Alcalde et al with k 12 = 0.042.…”

Section: Resultsmentioning

confidence: 99%

“…For this reason, experimental data on various phase equilibria of several NMP systems are available. In particular, liquid–liquid–vapor equilibria (LLVE) and LLE in the systems of NMP and n -alkanes from n -butane and until n -heptadecane were reported by several sources. − Besides that, the high-pressure VLE data in the systems of argon, methane, , nitrogen, , ethane, , and propane are reported. Several references also provide VLE data in the system carbon dioxide(1)–NMP(2).…”

Section: Introductionmentioning

confidence: 99%

“…UCEPs in the systems n-butane(1)− and n-pentane(1)− NMP(2) and atmospheric pressure UCSTs in the systems of nalkanes from n-hexane-and until n-hexadecane(1)−NMP(2).Points�experimental data. [1][2][3][4][5]10,11,13 Black solid line�predictions of CP-PC-SAFT with k 12 = 0.023, blue dashed line�predictions of PC-SAFT parametrized by van Niekerk et al44 with k 12 = 0.011, red dotted−dashed line�of PC-SAFT parametrized by Razavi et al45 with k 12 = 0.017, and pink dotted--dotted−dashed line�predictions of PC-SAFT parametrized by Alcalde et al5 with k 12 = 0.042.…”

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confidence: 99%

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Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Fredj Elias,

Polishuk

2024

Ind. Eng. Chem. Res.

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This study examines the accuracy of the simplest polarity-and association-neglecting forms of the critical point-based revision of perturbed chainstatistical association fluid theory (CP-PC-SAFT) predicting phase equilibria in the systems of N-methyl-2-pyrrolidone (NMP) with n-alkanes and nonpolar gases using the universal value of the binary parameter k 12 = 0.023. Previously, this value was obtained for the propane−phenol system, and its applicability for predicting phase equilibria in systems of various substituted aromatic and cyclic compounds by CP-PC-SAFT is assessed. It is found that this approach accurately predicts highpressure vapor−liquid ones (VLE) in the systems of NMP with nitrogen, methane, ethane, and carbon dioxide, slightly overestimates the solubility of argon in NMP, and overpredicts immiscibility in the systems of propane and n-butane. Additionally, despite some scattering, CP-PC-SAFT yields reliable predictions of the upper critical solution temperature (UCST) data in the systems of NMPheavier n-alkanes including n-hexadecane. It is also found that similar to the previously considered systems of substituted aromatic compounds, CP-PC-SAFT accurately estimates the compositions of the NMP-rich LLE phases but overpredicts the content of NMP in the n-alkane-rich ones. These results are compared with the predictions of PC-SAFT with various sets of pure compound parameters for NMP and the previously investigated substituted aromatic compounds. It appears that the lack of a standardized PC-SAFT parametrization scheme represents a significant obstacle to the implementation of this model to systems of different solvents with transferrable universal k 12 values. At the same time, PC-SAFT approaches that consider self-association may predict broader LLE phase splits. Incorporating LLE data into the parametrization procedures of such approaches can significantly improve accuracy at the expense of predictive capability.

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Section: ■ Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Fredj Elias,

Polishuk

2024

Ind. Eng. Chem. Res.

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“…Thermodynamic models, such as the nonrandom two-liquid (NRTL), are frequently applied to model phase equilibria in many binary and ternary mixture systems. − …”

Section: Introductionmentioning

confidence: 99%

Liquid−Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile

and

Alizadeh

2004

J. Chem. Eng. Data

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Liquid-liquid equilibria of binary mixtures of water and dinitrile solvents malononitrile, succinonitrile, and glutraronitrile have been studied in temperature range of 15 to 70°C. The phase diagrams show that the critical mole fraction and consolate temperature (°C) (x c , T c ) are (0.25, 58) for malononitrile and (0.19, 56) and (0.12, 68) for succinonitrile and glutraronitrile, respectively. The nonrandom two-liquid (NRTL) equation has been used to correlate of the activity coefficients of the components in binary mixtures. The parameters needed for the calculation are the energy parameters (g 12 -g 22 ) and (g 21 -g 11 ) and the nonrandom parameter R, which are determined by solving the NRTL equation with the aid of a nonlinear least-squares curve-fitting program. From the parameters of this equation, the excess Gibbs energies, G E , were calculated. Good agreement between the experimental data of phase diagrams and model results was achieved.

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Nonaqueous Liquid/Liquid Interfaces: Surface Activity at the Interface betweenn-Paraffins andN-Alkyl Derivatives of 2-Pyrrolidone

Lou

Pethica

Somasundaran

1998

Journal of Colloid and Interface Science

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Liquid-liquid equilibria in binary mixtures of N-methyl-α-pyrrolidone and saturated hydrocarbons

Cited by 5 publications

References 8 publications

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Liquid−Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile

Nonaqueous Liquid/Liquid Interfaces: Surface Activity at the Interface betweenn-Paraffins andN-Alkyl Derivatives of 2-Pyrrolidone

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Liquid-liquid equilibria in binary mixtures of N-methyl-α-pyrrolidone and saturated hydrocarbons

Cited by 5 publications

References 8 publications

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k12 Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k12 Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Liquid−Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile

Nonaqueous Liquid/Liquid Interfaces: Surface Activity at the Interface betweenn-Paraffins andN-Alkyl Derivatives of 2-Pyrrolidone

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Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k₁₂ Values in Systems of Gases and n-Alkanes with N-Methyl-2-pyrrolidone and Some Substituted Aromatic Compounds