Efficient separation of helium from methane using MOF membranes

Kadioglu, Özge; Keskın, Seda

doi:10.1016/j.seppur.2017.09.031

Cited by 55 publications

(18 citation statements)

References 45 publications

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“…Wilmer and coworkers 28 recently screened both the synthesized and hypothetical MOFs to predict CO 2 /N 2 separation performances of mixed matrix membranes (MMMs) composed of MOFs. Our group identified several top-performing MOF membranes for H 2 /CH 4 , 29 He/CH 4 , 30 CO 2 /CH 4 , 31 CO 2 /H 2 , 32 and CO 2 /N 2 33 separations by screening large numbers of materials using molecular simulations. As this literature review summarizes, none of the large-scale computational screening studies focused on MOF membranes for H 2 /N 2 separation to date and the knowledge about H 2 /N 2 separation potential of MOF membranes and MOF-based MMMs is currently very limited in the literature.…”

Section: Introductionmentioning

confidence: 99%

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations

Azar

Velioğlu

Keskın

2019

ACS Sustainable Chem. Eng.

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Several thousands of metal organic frameworks (MOFs) have been reported to date, but the information on H2/N2 separation performances of MOF membranes is currently very limited in the literature. We report the first large-scale computational screening study that combines state-of-the-art molecular simulations, grand canonical Monte Carlo (GCMC) and molecular dynamics (MD), to predict H2 permeability and H2/N2 selectivity of 3765 different types of MOF membranes. Results showed that MOF membranes offer very high H2 permeabilities, 2.5 × 103 to 1.7 × 106 Barrer, and moderate H2/N2 membrane selectivities up to 7. The top 20 MOF membranes that exceed the polymeric membranes’ upper bound for H2/N2 separation were identified based on the results of initial screening performed at infinite dilution condition. Molecular simulations were then carried out considering binary H2/N2 and quaternary H2/N2/CO2/CO mixtures to evaluate the separation performance of MOF membranes under industrial operating conditions. Lower H2 permeabilities and higher N2 permeabilities were obtained at binary mixture conditions compared to the ones obtained at infinite dilution due to the absence of multicomponent mixture effects in the latter. Structure–performance relations of MOFs were also explored to provide molecular-level insights into the development of new MOF membranes that can offer both high H2 permeability and high H2/N2 selectivity. Results showed that the most promising MOF membranes generally have large pore sizes (>6 Å) as well as high surface areas (>3500 m2/g) and high pore volumes (>1 cm3/g). We finally examined H2/N2 separation potentials of the mixed matrix membranes (MMMs) in which the best MOF materials identified from our high-throughput screening were used as fillers in various polymers. Results showed that incorporation of MOFs into polymers almost doubles H2 permeabilities and slightly enhances H2/N2 selectivities of polymer membranes, which can advance the current membrane technology for efficient H2 purification.

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Section: Introductionmentioning

confidence: 99%

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations

Azar

Velioğlu

Keskın

2019

ACS Sustainable Chem. Eng.

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“…Recently, metal-organic frameworks (MOFs) have been introduced as novel membranes’ fillers [27], pure MOFs thin films [27,28], or as thin films on organic [29,30] and inorganic [31] substrates for different application such as gas separation [32,33,34,35] and desalination [36,37,38,39,40,41,42]. MOFs are the combination of organic ligands and metal-containing nodes that are formed by directional coordination bonds.…”

Section: Introductionmentioning

confidence: 99%

Metal Organic Framework Based Polymer Mixed Matrix Membranes: Review on Applications in Water Purification

et al. 2019

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Polymeric membranes have been widely employed for water purification applications. However, the trade-off issue between the selectivity and permeability has limited its use in various applications. Mixed matrix membranes (MMMs) were introduced to overcome this limitation and to enhance the properties and performance of polymeric membranes by incorporation of fillers such as silica and zeolites. Metal-organic frameworks (MOFs) are a new class of hybrid inorganic–organic materials that are introduced as novel fillers for incorporation in polymeric matrix to form composite membranes for different applications especially water desalination. A major advantage of MOFs over other inorganic fillers is the possibility of preparing different structures with different pore sizes and functionalities, which are designed especially for a targeted application. Different MMMs fabrication techniques have also been investigated to fabricate MMMs with pronounced properties for a specific application. Synthesis techniques include blending, layer-by-layer (LBL), gelatin-assisted seed growth and in situ growth that proved to give the most homogenous dispersion of MOFs within the organic matrix. It was found that the ideal filler loading of MOFs in different polymeric matrices is 10%, increasing the filler loading beyond this value led to formation of aggregates that significantly decreased the MOFs-MMMs performance. Despite the many merits of MOFs-MMMs, the main challenge facing the upscaling and wide commercial application of MOFs-MMMs is the difficult synthesis conditions of the MOFs itself and the stability and sustainability of MOFs-MMMs performance. Investigation of new MOFs and MOFs-MMMs synthesis techniques should be carried out for further industrial applications. Among these new synthesis methods, green MOFs synthesis has been highlighted as low cost, renewable, environmentally friendly and recyclable starting materials for MOFs-MMMs. This paper will focus on the investigation of the effect of different recently introduced MOFs on the performance of MOFs-MMMs in water purification applications.

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“…poor mechanical strength and reproducibility, and complicated process [31]. Common MOF MMMs include UiO-66, ZIF-8, HKUST-1, MIL-101 and MIL-53 types MMMs, and most of them had been applied to separate and purify gases [32][33][34]. There are only few reports to enrich organic compounds in liquid samples by using MIL-53 MMM [29,35].…”

Section: Introductionmentioning

confidence: 99%

Preparation of mixed-matrix membranes from metal organic framework (MIL-53) and poly (vinylidene fluoride) for use in determination of sulfonylurea herbicides in aqueous environments by high performance liquid chromatography

et al. 2019

Journal of Colloid and Interface Science

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Novel mixed-matrix membranes (MMM) were prepared from metal-organic frameworks (MOF) (MIL-53) and poly (vinylidene fluoride) (PVDF), viz MIL-53-PVDF MMM, for the simultaneous dispersion membrane extraction (DME) of seven sulfonylurea herbicides (SUs) in aqueous environments followed by high performance liquid chromatography (HPLC) determination. The MIL-53-PVDF MMM was well characterized and major factors influencing DME performances were systematically investigated including membrane type, MOF dosage, eluent type, solution pH, extraction/elution time and salinity, etc. Under optimal conditions, the MIL-53-PVDF MMM based DME coupled with HPLC exhibited excellent linearity within 0.03-10 lg L À1 for chlorimuronethyl and 0.01-10 lg L À1 for other six SUs individual. High enrichment factor of 250 was obtained, as well as low detection limits and quantification limits ranged from 3.75 to 10.30 ng L À1 and 12.49-34.30 ng L À1 , respectively. Furthermore, the method attained high recoveries of 77.20-111.00% at three spiking levels of SUs, with relative standard deviations of 1.28-14.67% in

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Efficient separation of helium from methane using MOF membranes

Cited by 55 publications

References 45 publications

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations

Metal Organic Framework Based Polymer Mixed Matrix Membranes: Review on Applications in Water Purification

Preparation of mixed-matrix membranes from metal organic framework (MIL-53) and poly (vinylidene fluoride) for use in determination of sulfonylurea herbicides in aqueous environments by high performance liquid chromatography

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Efficient separation of helium from methane using MOF membranes

Cited by 55 publications

References 45 publications

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H2/N2 Separations

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H2/N2 Separations

Metal Organic Framework Based Polymer Mixed Matrix Membranes: Review on Applications in Water Purification

Preparation of mixed-matrix membranes from metal organic framework (MIL-53) and poly (vinylidene fluoride) for use in determination of sulfonylurea herbicides in aqueous environments by high performance liquid chromatography

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Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations

Large-Scale Computational Screening of Metal Organic Framework (MOF) Membranes and MOF-Based Polymer Membranes for H₂/N₂ Separations