Rescaling of three-parameter equations of state: PC-SAFT and SPHCT

Cismondi, Martín; Brignole, Esteban A.; Mollerup, Jørgen

doi:10.1016/j.fluid.2005.06.002

Cited by 52 publications

(38 citation statements)

References 33 publications

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“…As well known, the original version of PC‐SAFT 7 cannot fit the critical and the sub‐critical data simultaneously . In addition, this model is affected by certain numerical pitfalls .…”

Section: Theorymentioning

confidence: 99%

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

2017

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This investigation continues a series of studies evaluating the capability of the recently proposed CP‐PC‐SAFT and sPC‐SAFT of Liang et al. to estimate the thermodynamic properties of aqueous systems in the entirely predictive manner. Similarly to the previously considered systems, CP‐PC‐SAFT remains a realistic estimator of the available data on critical loci, high pressure‐high temperature phase equilibria and volumetric properties also in the cases of non‐polar gases and non‐aromatic hydrocarbons from argon and nitrogen till n‐eicosane and squalene while keeping zero values of binary parameters. Nevertheless, such application of the model poses certain unavoidable compromises on its accuracy. Inter alia, CP‐PC‐SAFT is a particularly inaccurate estimator of the water‐rich liquid phases away from the critical points. sPC‐SAFT predicts these data in a more reliable manner. Moreover, its predictive capability goes beyond the liquid phases and it exhibits a remarkable accuracy in forecasting various phase equilibria below the critical point of water. © 2017 American Institute of Chemical Engineers AIChE J, 2017

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“…As well known, the original version of PC‐SAFT 7 cannot fit the critical and the sub‐critical data simultaneously . In addition, this model is affected by certain numerical pitfalls .…”

Section: Theorymentioning

confidence: 99%

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

2017

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“…It should only be noticed that the rescaled simplified PC-SAFT [24] does not exhibit an improvement in comparison with the original version. Nevertheless the fact that PC-SAFT, in spite of its very high-polynomial order, typically generates the unrealistic phase equilibria at relatively low temperatures [15] should not be neglected.…”

Section: Pc-saft [14]mentioning

confidence: 93%

About the numerical pitfalls characteristic for SAFT EOS models

Polishuk

2010

Fluid Phase Equilibria

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“…The latter phenomenon may seriously affect their accuracies in predicting properties of heavy compounds such as ILs and their mixtures [49][50][51]. In addition, SAFT models typically cannot represent critical pressures, temperatures, and saturated liquid densities in a simultaneously accurate manner [52,53]. To solve all these problems, CP-PC-SAFT [43] majorly revised the initial version of PC-SAFT [45].…”

Section: Theorymentioning

confidence: 99%

Comparison of CP-PC-SAFT and SAFT-VR-Mie in Predicting Phase Equilibria of Binary Systems Comprising Gases and 1-Alkyl-3-methylimidazolium Ionic Liquids

et al. 2021

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This study compares performances of the Critical Point-based revision of Perturbed-Chain SAFT (CP-PC-SAFT) and the SAFT of Variable Range and Mie Potential (SAFT-VR-Mie) in predicting the available data on VLE, LLVE, critical loci and saturated phase densities of systems comprising CO, O2, CH4, H2S, SO2, propane, the refrigerants R22, R23, R114, R124, R125, R125, R134a, and R1234ze(E) and ionic liquids (ILs) with 1-alkyl-3-methylimidazolium ([Cnmim]+) cations and bis(trifluoromethanesulfonyl)imide ([NTf2]−), tetrafluoroborate ([BF4]−) and hexafluorophosphate ([PF6]−) anions. Both models were implemented in the entirely predictive manner with k12 = 0. The fundamental Global Phase Diagram considerations of the IL systems are discussed. It is demonstrated that despite a number of quantitative inaccuracies, both models are capable of reproducing the regularities characteristic for the considered systems, which makes them suitable for preliminary estimation of selectivity of the ILs in separating various gases.

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Rescaling of three-parameter equations of state: PC-SAFT and SPHCT

Cited by 52 publications

References 33 publications

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

Predicting phase behavior in aqueous systems without fitting binary parameters II: Gases and non‐aromatic hydrocarbons

About the numerical pitfalls characteristic for SAFT EOS models

Comparison of CP-PC-SAFT and SAFT-VR-Mie in Predicting Phase Equilibria of Binary Systems Comprising Gases and 1-Alkyl-3-methylimidazolium Ionic Liquids

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