Modeling Liquid−Liquid Equilibrium of Ionic Liquid Systems with NRTL, Electrolyte-NRTL, and UNIQUAC

Simoni, Luke D.; Lin, Youdong; Brennecke, Joan F.; Stadtherr, Mark A.

doi:10.1021/ie070956j

Cited by 219 publications

(178 citation statements)

References 56 publications

(156 reference statements)

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“…However, if VLE data is unavailable we resort to other binary data (LLE at different temperatures or excess enthalpy data). Details of the procedures used to determine the fully adjustable binary parameters as well as a presentation of the models themselves are given by Simoni et al (2007Simoni et al ( , 2008Simoni et al ( , 2009a.…”

Section: Modelingmentioning

confidence: 99%

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Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

Simoni

Chapeaux

Brennecke

et al. 2010

Computers & Chemical Engineering

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The production from biomass of chemicals and fuels by fermentation, biocatalysis, and related techniques implies energy-intensive separations of organics from relatively dilute aqueous solutions, and may require use of hazardous materials as entrainers to break azeotropes.We consider the design feasibility of using ionic liquids as solvents in liquid-liquid extractions for separating organic compounds from dilute aqueous solutions. As an example, we focus on the extraction of 1-butanol from a dilute aqueous solution. We have recently shown (Chapeaux et al., 2008) that 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide shows significant promise as a solvent for extracting 1-butanol from water. We will consider here two additional ionic liquids, 1-(6-hydroxyhexyl)-3-methylimidazolium bis-(trifluoromethylsulfonyl)imide and 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate, as extraction solvents for 1-butanol. Preliminary design feasibility calculations will be used to compare the three ionic liquid extraction solvents considered. The ability to predict the observed ternary liquid-liquid equilibrium behavior using selected excess Gibbs energy models, with parameters estimated solely using binary data and pure component properties, will also be explored.

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Section: Modelingmentioning

confidence: 99%

“…We have shown previously (Chapeaux et al, 2008;Simoni et al, 2008) that LLE for ternary systems containing ILs and water were more difficult to predict than nonaqueous systems when using this approach. In aqueous systems involving ILs, it is likely that there are different degrees of ionic dissociation in different phases.…”

Section: Introductionmentioning

confidence: 99%

Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

Simoni

Chapeaux

Brennecke

et al. 2010

Computers & Chemical Engineering

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“…They are known as organic salts having a melting point below 100°C (Xiao and Malhotra 2005), often found as liquids at ambient temperature (Domanska 2005;Simoni et al 2008). Typically, ILs molecular composition consists of organic cations such as N-dialkylimidazolium, N-alkylpyridinium, alkylammonium, alkyl-phosphonium, alkylsulphonium and tiazolium; inorganic anions such as halide (e.g., Br…”

Section: Introductionmentioning

confidence: 99%

Efficiency of ionic liquids for chemical enhanced oil recovery

Dahbag

AlQuraishi

Benzagouta

2014

J Petrol Explor Prod Technol

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Substantial amount of crude oil remains in the reservoir after primary and secondary production. Chemical flooding is one of the enhanced oil recovery (EOR) methods; however, chemicals (i.e., Surfactant) used are sensitive to the harsh environment characterizing the local reservoirs. The current study aimed at investigating the utilization of ionic liquids (ILs), known as environment friendly salt with good solubility, thermal stability and effective surface activity, as an alternative to conventional organic surfactants in enhanced oil recovery process. In this work, screening tests of nine ILs were performed. These ILs were diluted in different brine solutions of different salt compositions at 10 % (w/w) salinity and their solubility, thermal stability and surface activity in presence of Saudi medium crude oil were tested. Tetra alkyl ammonium sulfate known as Ammoeng 102 was found to be the ionic liquid of choice. Further investigations on Ammoeng 102 solutions at 10 and 20 % (w/w) salinity were conducted and IFT measurements indicate enhanced surface activity of Ammoeng 102 with increasing solution salinity. Effects of pressure and temperature on interfacial tension (IFT) were also tested and the results indicate minor effects. Adsorption test indicates high Ammoeng 102 adsorption tendency with more adsorption for higher salinity solution. Different flooding scenarios were conducted in sandstone rock samples to investigate the effectiveness of Ammoeng 102 IL as an EOR chemical. The findings indicate promising results for ionic solution flooding in secondary mode at irreducible water saturation (S wirr ). Ultimate recovery obtained is higher than that obtained with combined secondary brine flooding followed by tertiary ionic solution flooding at residual oil saturation (S or ). Injection of slug of ionic solution in secondary mode provides lower recovery compared to that recovered with continuous ionic solution injection in the same mode. Rock water content affects recovery efficiency indicating higher oil recovery for secondary brine and tertiary ionic solution flooding at low S wirr . Contact angle and relative permeability measurements demonstrate the role of wettability alteration behind the extra oil recovery which is very much affected by ionic liquid concentration that can be altered by dilution with formation and injected brines.

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“…In this way, apart from the recommended NRTL parameter range found in the literature [57,58], a novel condition is deduced to guarantee a consistent total or partial miscibility behavior between the experimental and calculated system, at least for the binary subsystems. Fig.…”

Section: Application Of Nrtl Binary Parameter Restrictionsmentioning

confidence: 99%

GE Models and Algorithms for Condensed Phase Equilibrium Data Regression in Ternary Systems: Limitations and Proposals

Gomis¹

2011

TOTHERJ

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Phase equilibrium data regression is an unavoidable task necessary to obtain the appropriate values for any model to be used in separation equipment design for chemical process simulation and optimization. The accuracy of this process depends on different factors such as the experimental data quality, the selected model and the calculation algorithm. The present paper summarizes the results and conclusions achieved in our research on the capabilities and limitations of the existing G E models and about strategies that can be included in the correlation algorithms to improve the convergence and avoid inconsistencies. The NRTL model has been selected as a representative local composition model. New capabilities of this model, but also several relevant limitations, have been identified and some examples of the application of a modified NRTL equation have been discussed. Furthermore, a regression algorithm has been developed that allows for the advisable simultaneous regression of all the condensed phase equilibrium regions that are present in ternary systems at constant T and P. It includes specific strategies designed to avoid some of the pitfalls frequently found in commercial regression tools for phase equilibrium calculations. Most of the proposed strategies are based on the geometrical interpretation of the lowest common tangent plane equilibrium criterion, which allows an unambiguous comprehension of the behavior of the mixtures. The paper aims to show all the work as a whole in order to reveal the necessary efforts that must be devoted to overcome the difficulties that still exist in the phase equilibrium data regression problem.

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Modeling Liquid−Liquid Equilibrium of Ionic Liquid Systems with NRTL, Electrolyte-NRTL, and UNIQUAC

Cited by 219 publications

References 56 publications

Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

Extraction of biofuels and biofeedstocks from aqueous solutions using ionic liquids

Efficiency of ionic liquids for chemical enhanced oil recovery

GE Models and Algorithms for Condensed Phase Equilibrium Data Regression in Ternary Systems: Limitations and Proposals

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