Multicomponent Refrigerant Separation Using Extractive Distillation with Ionic Liquids

Finberg, Ethan A.; May, Tessie L.; Shiflett, Mark B.

doi:10.1021/acs.iecr.2c00937

Cited by 23 publications

(48 citation statements)

References 130 publications

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“…One technology that is currently being investigated for the separation of complex refrigerant mixtures is extractive distillation with ionic liquids (ILs) as entrainers. ILs show promise as entrainers for this separation due to their unique properties including negligible vapor pressure and dissolution of different gases. − Significant work has been done to investigate equilibrium and thermophysical properties of refrigerants with a variety of neat ILs. − …”

Section: Introductionmentioning

confidence: 99%

First Measurements of the Sorption of Difluoromethane and Pentafluoroethane in Encapsulated Ionic Liquids

Baca,

Harders,

Starvaggi

et al. 2023

Ind. Eng. Chem. Res.

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Section: Introductionmentioning

confidence: 99%

First Measurements of the Sorption of Difluoromethane and Pentafluoroethane in Encapsulated Ionic Liquids

Baca,

Harders,

Starvaggi

et al. 2023

Ind. Eng. Chem. Res.

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“…As such, technologies to recycle these HFCs are developing quickly. For example, recent work demonstrates how ionic liquids (ILs) can facilitate HFC separation. − Other works have used machine learning to search for new refrigerants and estimate HFC solubility in ILs. , However, all HFC separation endeavors require the often limited knowledge of the thermophysical properties of these HFC mixtures. , Computer-aided molecular design of HFC separations ,, has shown promise to accelerate the development of novel processes to meet the required goals. Accurate vapor–liquid equilibrium (VLE) data of HFC mixtures are desired, as is a microscopic understanding of the underlying physics that governs their physical properties.…”

Section: Introductionmentioning

confidence: 99%

Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants

Wang,

Carlozo,

Marin-Rimoldi

et al. 2023

J. Chem. Theory Comput.

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Hydrofluorocarbon (HFC) refrigerants with zero ozone-depleting potential have replaced chlorofluorocarbons and are now ubiquitous. However, some HFCs have high global warming potential, which has led to calls by governments to phase out these HFCs. Technologies to recycle and repurpose these HFCs need to be developed. Therefore, thermophysical properties of HFCs are needed over a wide range of conditions. Molecular simulations can help understand and predict the thermophysical properties of HFCs. The prediction capability of a molecular simulation is directly tied to the accuracy of the force field. In this work, we applied and refined a machine learning-based workflow to optimize the Lennard-Jones parameters of classical HFC force fields for HFC-143a (CF3CH3), HFC-134a (CH2FCF3), R-50 (CH4), R-170 (C2H6), and R-14 (CF4). Our workflow involves liquid density iterations with molecular dynamics simulations and vapor–liquid equilibrium (VLE) iterations with Gibbs ensemble Monte Carlo simulations. Support vector machine classifiers and Gaussian process surrogate models save months of simulation time and can efficiently select optimal parameters from half a million distinct parameter sets. Excellent agreement as evidenced by low mean absolute percent errors (MAPEs) of simulated liquid density (ranging from 0.3% to 3.4%), vapor density (ranging from 1.4% to 2.6%), vapor pressure (ranging from 1.3% to 2.8%), and enthalpy of vaporization (ranging from 0.5% to 2.7%) relative to experiments was obtained for the recommended parameter set of each refrigerant. The performance of each new parameter set was superior or similar to the best force field in the literature.

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“…Proposed solutions for the separation of HFCs and other refrigerants include ionic liquids as entrainers in extractive distillation and selective adsorption using porous materials such as activated carbons, zeolites, and metal–organic frameworks. − Membrane technology has also been considered in the literature for HFC separation, specifically in regard to HFC-32, HFC-125, HFC-134a, and HFO-1234yf. For example, Pardo et al reported the use of poly(ether- block -amide) (PEBA) membranes for the separation of HFC mixtures containing the refrigerants HFC-32, HFC-134a, and HFO-1234yf (CH 2 CFCF 3 ) .…”

Section: Introductionmentioning

confidence: 99%

Separation of Refrigerant Gases Using a Copolymer of Perfluoro(2,2-dimethyl-1,3-dioxole) (PDD) and Vinyl Acetate (VA)

Harders,

Dixon,

Hines

et al. 2023

Ind. Eng. Chem. Res.

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The separation of azeotropic refrigerant mixtures is an important issue due to recent legislation requiring regulation and phase down. The ability to separate and recycle refrigerants is needed, as many refrigerants will be at end-of-life over the next couple of decades. Polymeric membranes provide the ability to separate refrigerant mixtures based on differences in solubility and diffusivity. The current study investigates the use of a copolymer of perfluoro(2,2-dimethyl-1,3-dioxole) (PDD) and vinyl acetate (VA) for refrigerant separation. The permeability, solubility, and diffusivity of HFC-32 (CH 2 F 2 ), HFC-125 (CHF 2 CF 3 ), HFC-134a (CF 3 CH 2 F), HFO-1234yf (CH 2 �CFCF 3 ), and HCFC-22 (CHClF 2 ) were measured in PDD-co-VA at 308. 15, 323.15, 348.15, and 373.15 K. Arrhenius relationships were used to obtain the activation energy of permeation for each refrigerant. Arrhenius solubility and diffusivity relationships were applied to HFC-32 and HFC-125 to obtain the activation energy of diffusion and heat of sorption. Results indicate that selectivity decreases as the temperature increases. A high selectivity of 35 can be obtained for HFC-32/HFC-125 while maintaining a high permeability at 308.15 K. High selectivities of HFC-32/HFC-125, HFC-32/HFO-1234yf, HFC-32/ HFC-134a, and HCFC-22/HFC-125 indicate the commercial potential of this polymer in the separation of refrigerant mixtures.

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Multicomponent Refrigerant Separation Using Extractive Distillation with Ionic Liquids

Cited by 23 publications

References 130 publications

First Measurements of the Sorption of Difluoromethane and Pentafluoroethane in Encapsulated Ionic Liquids

First Measurements of the Sorption of Difluoromethane and Pentafluoroethane in Encapsulated Ionic Liquids

Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants

Separation of Refrigerant Gases Using a Copolymer of Perfluoro(2,2-dimethyl-1,3-dioxole) (PDD) and Vinyl Acetate (VA)

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