Phase behavior of CO2/toluene, CO2/n-decane and CO2/toluene/n-decane: Experimental measurements and thermodynamic modeling with SAFT-VR Mie equation of state

Nascimento, Fábio P.; Paredes, Márcio L.L.; Bernardes, Ana Paula Donato; Pessoa, Fernando

doi:10.1016/j.supflu.2019.104634

Cited by 11 publications

(8 citation statements)

References 42 publications

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“…2 clearly shows that the interpolated data, obtained from the original measurements, are well represented by the PR EOS combined with a temperature-dependent kij even in the mixture critical area. It confirms the good capability of the PR EOS in correlating VLE of mixtures containing CO2 and hydrocarbons if the binary interaction parameter used is temperaturedependent [4,[41][42][43]. For the binary system CO2 + 2,3-dimethylbutane, the binary interaction parameter is high and varies significantly with temperature: from 0.1074 at 293.15 K to 0.1507 at 373.15 K, which is in accordance with kij values found in the literature for such systems [4,17,22,24,44].…”

Section: Analysis and Discussionsupporting

confidence: 60%

Fluid phase equilibria for the CO2 + 2,3-dimethylbutane binary system from 291.9 K to 373.1 K

Zid

Bazile

Daridon

et al. 2022

The Journal of Supercritical Fluids

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Section: Analysis and Discussionsupporting

confidence: 60%

Fluid phase equilibria for the CO2 + 2,3-dimethylbutane binary system from 291.9 K to 373.1 K

Zid

Bazile

Daridon

et al. 2022

The Journal of Supercritical Fluids

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“…The P-x-y phase diagram for CO 2 /toluene system at 313.2 and 353.2 K is displayed in Fig. 12 34 . It is evident that the experimental conditions in this paper are far away from the critical line with the decrease of temperature, leading to the increase of supersaturation of solid solute in the liquid solvent.…”

Section: Effect Of Operating Conditions Of Sas On the Particles Sizementioning

confidence: 99%

Optimization of process parameters for preparation of polystyrene PM2.5 particles by supercritical antisolvent method using BBD-RSM

Zhang

Guo

et al. 2020

Sci Rep

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PS by SAS process using ethyl acetate as solvent and SC-CO 2 as antisolvent and obtained two groups of nearly spherical sub-microns particles with a particle size between 150 and 400 nm. The results demonstrated that it is feasible to acquire PS particles by SAS process, but the PS PM2.5 standard particles have not been prepared. The Box-Behnken design-response surface method (BBD-RSM) is a second-order experimental design method based on three levels. It can evaluate the non-linear relationship between indexes and factors to optimize the operating conditions for responses affected by multiple variables 24,25. The objective of this research is to optimize the conditions for preparing PS PM2.5 particles by SAS process based on BBD-RSM. Toluene was selected as a solvent and SC-CO 2 was used as an antisolvent. Further more, the effects of crystallizer pressure, PS massic concentration, flow ratio of CO 2 /solution and crystallizer temperature on the morphology, the size and distribution of the PS particles were investigated systematically by BBD-RSM. Materials and methods Materials. Carbon dioxide, with purity of 98%, was purchased from Jinan German Foreign Specialty Gases Co., Ltd, China. Polystyrene, with purity of 99.9%, was provided by Tianjin Damao Chemical Reagent Co., Ltd, China. Toluene, with purity of 98%, was purchased from Jinan Xinwang Chemical Co., Ltd, China.

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“…The statistical associating fluid theory (SAFT) equation of state (EoS), , which is developed from the first-order perturbation theory of Wertheim, − is a successful thermodynamic modeling tool, which can describe the thermodynamic properties of complex fluids and their mixtures. − Of the SAFT variants, the SAFT with variable range Mie-potential, or SAFT-VR Mie, is arguably the most advanced of the SAFT variants that shows promise as a holistic predictive tool because it offers an improvement of the near-critical region while retaining accurate descriptions of second-derivative properties. , SAFT-VR Mie has already been applied to a wide variety of components and their mixtures, including hydrocarbons, − associating molecules, , aqueous mixtures, , inorganic gases, ionic liquids, and haloalkanes. , SAFT-VR Mie has also been extended to account for dipolar , and quadrupolar , interactions and applied to mixtures containing polar molecules. − In all of these works, it is shown that SAFT-VR Mie offers excellent descriptions of the investigated systems.…”

Section: Introductionmentioning

confidence: 99%

“…SAFT-VR Mie, however, is not able to describe the exact scaling behavior observed in the near-critical region. As evidenced in a number of investigations, ,,,,,− the model is also unable to capture the critical behavior of mixtures, even when binary interaction parameters are implemented. This is a result of the mean-field approximation (MFA) , in which the wider SAFT framework is rooted.…”

Section: Introductionmentioning

confidence: 99%

Application of Renormalization Corrections to SAFT-VR Mie

Smith

Cripwell

Schwarz

2022

Ind. Eng. Chem. Res.

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SAFT-VR Mie is an established equation of state that offers excellent holistic descriptions of fluid behavior. However, the model does not account for the long-wavelength density fluctuations encountered in the critical region and can therefore not describe this region accurately. To this end, SAFT-VR Mie is treated with renormalization corrections, yielding SAFT-VR Mie + RG. This procedure is based on the ideas of White [J. Chem. Phys.199911193529356; J. Chem. Phys.200011232363244; J. Chem. Phys.200011315801586] where the fluid structure is incorporated into the renormalization corrections. SAFT-VR Mie + RG improves the description of pure-component properties in the critical region, without losing accuracy outside the critical region. The model is extended to mixtures using the isomorphism approach and applied to binary n-alkane systems. Remarkable predictions of critical loci are obtained without binary interaction parameters. SAFT-VR Mie + RG also describes the equilibrium phase behavior of these systems outside the critical region accurately, thus achieving the overarching aim of developing a model for global fluid phase equilibria.

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Phase behavior of CO2/toluene, CO2/n-decane and CO2/toluene/n-decane: Experimental measurements and thermodynamic modeling with SAFT-VR Mie equation of state

Cited by 11 publications

References 42 publications

Fluid phase equilibria for the CO2 + 2,3-dimethylbutane binary system from 291.9 K to 373.1 K

Fluid phase equilibria for the CO2 + 2,3-dimethylbutane binary system from 291.9 K to 373.1 K

Optimization of process parameters for preparation of polystyrene PM2.5 particles by supercritical antisolvent method using BBD-RSM

Application of Renormalization Corrections to SAFT-VR Mie

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