Modeling vapor–liquid equilibrium and liquid–liquid extraction of deep eutectic solvents and ionic liquids using perturbed‐chain statistical associating fluid theory equation of state. Part <scp>II</scp>

Aminian, Ali

doi:10.1002/aic.17774

Cited by 4 publications

(7 citation statements)

References 60 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The association scheme of 2B, as presented by Huang and Radosz ( Huang and Radosz, 1990 ; Huang and Radosz, 1991 ), was considered for the pseudo-component DESs. The reason for considering the pseudo-component approach, and also choosing the 2B association scheme for DESs is by following the recommendations of many published studies ( Zubeir et al, 2016 ; Haghbakhsh and Raeissi, 2017 ; Lloret et al, 2017 ; Dietz et al, 2017 ; Animasahun et al, 2017 ; Aminian, 2021 ; Cea-Klapp et al, 2020 ). Almost all of the literature that have used the PC-SAFT EoS for modeling of DESs, have recommended the 2B association scheme for a pseudo-component DES.…”

Section: Resultsmentioning

confidence: 99%

“…They explored the two approaches of either describing the DESs as pseudo-compounds or treating them as combinations of their two independent constituents of HBA and HBD. Further, the effort was made to model CO 2 solubility in DES systems using the PC-SAFT (Perturbed Chain-Statistical Associating Fluid Theory) EoS, as a well-known version of the SAFT type family ( Zubeir et al, 2016 ; Dietz et al, 2017 ; Animasahun et al, 2017 ; Aminian, 2021 ; Cea-Klapp et al, 2020 ). For the first time, Zubeir et al (2016) used the PC-SAFT to peruse the phase behavior of a few DES + CO 2 mixtures at a temperature range between 298.15 and 318.15 K and pressures up to 2 MPa.…”

Section: Introductionmentioning

confidence: 99%

“…Only the association scheme of 2B was considered for carbon dioxide. Further, Aminian ( Aminian, 2021 ) studied the phase behavior of systems containing ionic liquids (ILs) and DESs using the PC-SAFT EoS. Their investigated DESs were based on tetrabutylammonium chloride and tetrabutylammonium bromide (as the HBA), and levulinic acid and diethylene glycol (as the HBD) at two different molar ratios.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS

et al. 2022

View full text Add to dashboard Cite

Having been introduced in 2003, Deep Eutectic Solvents (DESs) make up a most recent category of green solvents. Due to their unique characteristics, and also their tunable physical properties, DESs have shown high potentials for use in various applications. One of the investigated applications is CO2 absorption. The thermodynamic modeling of CO2 solubility in DESs has been pursued by a number of researchers to estimate the capacity and capability of DESs for such tasks. Among the advanced equations of state (EoSs), the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) is a well-known EoS. In this study, the performance of the PC-SAFT EoS for estimating CO2 solubility in various DESs, within wide ranges of temperatures and pressures, was investigated. A large data bank, including 2542 CO2 solubility data in 109 various-natured DESs was developed and used for this study. This is currently the most comprehensive study in the open literature on CO2 solubility in DESs using an EoS. For modeling, the DES was considered as a pseudo-component with a 2B association scheme. CO2 was considered as both an inert and a 2B-component and the results of each association scheme were compared. Considering the very challenging task of modeling a complex hydrogen bonding mixture with gases, the results of AARD% being lower than 10% for both of the investigated association schemes of CO2, showed that PC-SAFT is a suitable model for estimating CO2 solubilities in various DESs. Also, by proposing generalized correlations to predict the PC-SAFT parameters, covering different families of DESs, the developed model provides a global technique to estimate CO2 solubilities in new and upcoming DESs, avoiding the necessity of further experimental work. This can be most valuable for screening and feasibility studies to select potential DESs from the innumerable options available.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS

et al. 2022

View full text Add to dashboard Cite

show abstract

“…The IL selection criteria for separating aromatics from aliphatic hydrocarbon mixtures include the distribution coefficients of aromatics and selectivity toward aromatics/aliphatics. Toluene/ n -heptane is a typical representative system for which liquid–liquid extraction methods are commonly used to separate toluene from heptane. ,− Arce et al used [EMIM][Tf 2 N] as an extraction solvent to separate toluene in a toluene/ n -heptane system at 298.15 K, and the IL’s performance as a solvent was evaluated by calculating the solute distribution ratio and selectivity. No IL was observed in the upper equilibrium phase of any contact line with heptane and toluene in the system, but a small amount of IL was detected in the upper phase of some equilibrium mixtures of octane and ethylbenzene in the system.…”

Section: Aromatics Extraction With Ilsmentioning

confidence: 99%

Hydrocarbon Extraction with Ionic Liquids

Yu,

Dai,

Liu

et al. 2024

Chem. Rev.

View full text Add to dashboard Cite

Separation and reaction processes are key components employed in the modern chemical industry, and the former accounts for the majority of the energy consumption therein. In particular, hydrocarbon separation and purification processes, such as aromatics extraction, desulfurization, and denitrification, are challenging in petroleum refinement, an industrial cornerstone that provides raw materials for products used in human activities. The major technical shortcomings in solvent extraction are volatile solvent loss, product entrainment leading to secondary pollution, low separation efficiency, and high regeneration energy consumption due to the use of traditional organic solvents with high boiling points as extraction agents. Ionic liquids (ILs), a class of designable functional solvents or materials, have been widely used in chemical separation processes to replace conventional organic solvents after nearly 30 years of rapid development. Herein, we provide a systematic and comprehensive review of the state-of-the-art progress in ILs in the field of extractive hydrocarbon separation (i.e., aromatics extraction, desulfurization, and denitrification) including (i) molecular thermodynamic models of IL systems that enable rapid large-scale screening of IL candidates and phase equilibrium prediction of extraction processes; (ii) structure–property relationships between anionic and cationic structures of ILs and their separation performance (i.e., selectivity and distribution coefficients); (iii) IL-related extractive separation mechanisms (e.g., the magnitude, strength, and sites of intermolecular interactions depending on the separation system and IL structure); and (iv) process simulation and design of IL-related extraction at the industrial scale based on validated thermodynamic models. In short, this Review provides an easy-to-read exhaustive reference on IL-related extractive separation of hydrocarbon mixtures from the multiscale perspective of molecules, thermodynamics, and processes. It also extends to progress in IL analogs, deep eutectic solvents (DESs) in this research area, and discusses the current challenges faced by ILs in related separation fields as well as future directions and opportunities.

show abstract

“…Nonetheless, UNIFAC is unsuitable for predicting the activity coefficients of salts due to the lack of group parameters. On the other hand, modeling multicomponent systems using PC-SAFT might require system-specific parameters, which might be unavailable for many components used in DES formulation . In contrast, modeling the nonideality in multicomponent systems is a straightforward task in COSMO-based models that require only the molecular structures of components to calculate their activity coefficients in the liquid solution.…”

Section: Introductionmentioning

confidence: 99%

Assessment of COSMO-RS for Predicting Liquid–Liquid Equilibrium in Systems Containing Deep Eutectic Solvents

Wang,

Peng,

Alhadid

et al. 2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Modeling vapor–liquid equilibrium and liquid–liquid extraction of deep eutectic solvents and ionic liquids using perturbed‐chain statistical associating fluid theory equation of state. Part II

Cited by 4 publications

References 60 publications

Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS

Investigation of carbon dioxide solubility in various families of deep eutectic solvents by the PC-SAFT EoS

Hydrocarbon Extraction with Ionic Liquids

Assessment of COSMO-RS for Predicting Liquid–Liquid Equilibrium in Systems Containing Deep Eutectic Solvents

Contact Info

Product

Resources

About