Removal of the CO 2  from flue gas utilizing hybrid composite adsorbent MIL-53(Al)/GNP metal-organic framework

Pourebrahimi, Sina; Kazemeini, Mohammad; Babakhani, Ensieh Ganji; Taheri, Armin

doi:10.1016/j.micromeso.2015.07.013

Cited by 48 publications

(23 citation statements)

References 41 publications

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“…SUTBIT is known as Ni(bpb), and our simulated ideal CO 2 /CH 4 selectivity of 4.82 agrees with the selectivity of ∼3 calculated from the experimental single-component adsorption isotherms of CO 2 and CH 4 in that MOF at 1 bar, 273 K. 43 SABVUN corresponds to MIL-53(Al). Our molecular simulations predicted ideal CO 2 /N 2 selectivity of this MOF as 15.8 at 1 bar, 298 K, which agrees with the experimentally reported selectivities in the literature varying between 6 and 15 at 1 bar, 298 K. 44 − 47 The molecular simulations predicted CO 2 selectivity of SABVUN as 13 from an equimolar CO 2 /CH 4 mixture at 5 bar, 298 K, which agrees with the experimentally reported selectivity of 7 at 5 bar, 303 K. 48 The common name of FIRMUQ is TKL-107, and our simulated CO 2 /N 2 selectivity of 20 quantitatively agrees with the experimentally reported ideal selectivity of ∼11 at 1 bar, 298 K. 49 KOSLUB is known as Ni-MOF-74. Experimental CO 2 /N 2 selectivity of this MOF was reported as 30 by dividing the ratio of adsorbed mass of CO 2 to N 2 .…”

Section: Resultssupporting

confidence: 88%

Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening

Altıntaş

Avcı

Daglar

et al. 2018

ACS Appl. Mater. Interfaces

153

162

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Metal–organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a time-effective manner. In this study, molecular simulations were performed to screen the MOF database to identify the best materials for CO2 separation from flue gas (CO2/N2) and landfill gas (CO2/CH4) under realistic operating conditions. We validated the accuracy of our computational approach by comparing the simulation results for the CO2 uptakes, CO2/N2 and CO2/CH4 selectivities of various types of MOFs with the available experimental data. Binary CO2/N2 and CO2/CH4 mixture adsorption data were then calculated for the entire MOF database. These data were then used to predict selectivity, working capacity, regenerability, and separation potential of MOFs. The top performing MOF adsorbents that can separate CO2/N2 and CO2/CH4 with high performance were identified. Molecular simulations for the adsorption of a ternary CO2/N2/CH4 mixture were performed for these top materials to provide a more realistic performance assessment of MOF adsorbents. The structure–performance analysis showed that MOFs with ΔQst0 > 30 kJ/mol, 3.8 Å < pore-limiting diameter < 5 Å, 5 Å < largest cavity diameter < 7.5 Å, 0.5 < ϕ < 0.75, surface area < 1000 m2/g, and ρ > 1 g/cm3 are the best candidates for selective separation of CO2 from flue gas and landfill gas. This information will be very useful to design novel MOFs exhibiting high CO2 separation potentials. Finally, an online, freely accessible database was established, for the first time in the literature, which reports all of the computed adsorbent metrics of 3816 MOFs for CO2/N2, CO2/CH4, and CO2/N2/CH4 separations in addition to various structural properties of MOFs.

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Section: Resultssupporting

confidence: 88%

Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening

Altıntaş

Avcı

Daglar

et al. 2018

ACS Appl. Mater. Interfaces

153

162

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“…The absorption peaks at 1600 cm -1 and 1500 cm -1 can be assigned to -CO 2 asymmetric stretchings, whereas band at 1400 cm -1 can be assigned to -CO 2 symmetric stretchings. The band in the region 3500-3600 cm -1 corresponds to the bending and stretching modes of water [19,20]. Shaping metal-organic framework (MOF) powder materials for CO 2 capture applications… illustrates the effect of the applied pressure on the crystallinity of the obtained CuBTC tablets.…”

Section: Thermogravimetric Studymentioning

confidence: 99%

Shaping metal–organic framework (MOF) powder materials for CO2 capture applications—a thermogravimetric study

Majchrzak‐Kucęba

Ściubidło

2019

J Therm Anal Calorim

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The paper presents the effect of the tabletting pressure and time on the chemical structure and crystallinity of the CuBTC and MIL-53(Al) metal-organic framework tablets. For MOFs, the no-binder tabletting method was employed using a pressure of 3.7, 7.4, 29.6 and 59.2 kN m-2 , respectively, for a duration of 0.5, 1 and 2 min. The obtained tablets were crushed and sieved to obtain the desired fraction from 500 to 650 lm. In this study, the thermogravimetric test has been used for the assessment of the effect of shaping metal-organic frameworks on the CO 2 adsorption properties. The examination of the CO 2 sorption capacity of metal-organic frameworks was carried out using a Mettler TGA/SDTA 851e thermobalance and TG-Vacuum. The results indicate a significant effect of compression on the crystal structure and CO 2 sorption capacity of MOFs.

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“…In addition, the solvothermal method is also suitable to form composites applied in CO 2 uptake . In 2014, Huang et al prepared GO@Cu‐BTC through the solvothermal method and obtained highly effective products.…”

Section: Gas Separation and Storagementioning

confidence: 99%

Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications

Zheng

Xue

et al. 2018

Adv Funct Materials

253

107

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Metal-organic frameworks (MOFs), a new class of crystalline porous materials, can be applied in many fields as adsorbents, supercapacitors, catalysts, and so on because of, among others, their superior properties of large surface area, tunable pore size, diverse structures. However, the low stability and selectivity of traditional MOFs indicate that they are not the best configuration for the applications outlined above. In this case, a type of composite made from an assembly of graphene-based materials and MOFs that exhibits the advantages of the parent materials has attracted widespread attention in recent years. This review provides an overview of the recent developments of MOF/graphene-based materials, focusing on their applications in gas separation/storage, water purification, chemical sensors, batteries, supercapacitors, and catalysts, as well as their preparation methods.The ORCID identification number(s) for the author(s) of this article can be found under https://doi.org/10.1002/adfm.201804950. traditional method, they can be excellent alternatives of single MOFs to overcome the above-mentioned difficulties. [34][35][36][37][38] Graphene-based materials have recently introduced new possible applications because of their unique structure and low toxicity, as well as their excellent electronic, thermal, electrochemical, and mechanical properties. [39] More recently, many reports have confirmed that the introduction of graphene-based materials into other materials can lead to surprising improvements in electronic conductivity and stability. [38,40] Under these circumstances, it is reasonable to consider whether composites made from the assembly of graphene-based materials and MOFs possess extraordinary characteristics given that the parent materials have complementary properties. [40][41][42] Naturally, the idea of hybridizing graphene derivatives with MOFs materialized and soon attracted widespread attention. [43][44][45] According to recent research, composites of MOF/graphene-based materials can integrate the advantages and mitigate the shortcomings of the individual components perfectly, enabling the composites to possess improved stability, enhanced electrical conductivity, high selectivity, and template effects. [34,[46][47][48][49] With the combination of MOF and graphene-based materials, the unexpected interactions take place and bring unique performance in many applications. Thanks to the ionic groups and the aromatic sp 2 domains, graphene-based materials can not only function as structural nodes, but also participate in bonding interactions, which would be more active in MOFs. What's more, carboxylate and pyridine groups of graphene-based materials play important part in the assemble, which could enhance the coordination bonding and guide the growth of MOF, providing a more beneficial structure. These special interactions are unique in MOF/graphenebased materials, which indicates that this kind of materials deserve more attention. As concluded in Scheme 1, the addition of graphene-based material...

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Removal of the CO 2 from flue gas utilizing hybrid composite adsorbent MIL-53(Al)/GNP metal-organic framework

Cited by 48 publications

References 41 publications

Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening

Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening

Shaping metal–organic framework (MOF) powder materials for CO2 capture applications—a thermogravimetric study

Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications

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Removal of the CO 2 from flue gas utilizing hybrid composite adsorbent MIL-53(Al)/GNP metal-organic framework

Cited by 48 publications

References 41 publications

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening

Shaping metal–organic framework (MOF) powder materials for CO2 capture applications—a thermogravimetric study

Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications

Contact Info

Product

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Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening

Database for CO₂ Separation Performances of MOFs Based on Computational Materials Screening