Understanding the opportunities of metal–organic frameworks (MOFs) for CO<sub>2</sub>capture and gas-phase CO<sub>2</sub>conversion processes: a comprehensive overview

Gándara-Loe, Jesús; Pastor‐Pérez, Laura; Bobadilla, Luis F.; Odriozola, José Antonio; Reina, Tomás Ramírez

doi:10.1039/d1re00034a

Cited by 33 publications

(16 citation statements)

References 228 publications

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“…It is already known that H 2 production is enhanced if CO 2 capture materials are added to the process, which is regarded as sorption-enhanced reforming (SER) technologies. 3,4 This technology performs the H 2 and carbon oxides production simultaneously through different reactions, trapping the produced carbon oxides. These multiple processes not only reduce the carbon oxides concentrations of the final effluent gas, but shifts the thermodynamic reaction equilibrium towards H 2 production.…”

Section: Introductionmentioning

confidence: 99%

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

et al. 2023

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Section: Introductionmentioning

confidence: 99%

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

et al. 2023

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“…All the above limitations led to the advent of CO 2 conversion in presence of high‐performance metal‐based catalyst for activating CO 2 molecule under milder conditions. [ 5 ] CO 2 hydrogenation over metal‐based catalysts can effectively produce methanol (CH 3 OH) which is one of the most promising environment‐benign fuels. Although, several approaches for CO 2 conversion to methanol such as electrochemical, photochemical, and thermochemical processes have been investigated but among them, only thermochemical route has given high conversion yields for methanol synthesis.…”

Section: Introductionmentioning

confidence: 99%

Forecasting Catalytic Property‐Performance Correlations for CO₂ Hydrogenation to Methanol via Surrogate Machine Learning Framework

Tripathi

Gupta

Awasthi

et al. 2023

Advanced Sustainable Systems

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toward a greener energy mix together with more sustainable chemical production is halfway but will still require many more years or perhaps decades and massive investment to pervade the market. Additionally, some sectors such as cement industries intrinsically emit CO 2 . [2] Opting for solutions based on carbon capture and storage (CCS) as well as carbon capture and use (CCU) can help to restrain persisting CO 2 emissions. CCS involves storing carbon within geological formations which is an efficient way to curb CO 2 emissions, but this technology is costly and energy intensive. Hence, CCU is a relatively more promising and attractive option. [3] The captured CO 2 can be used as a renewable resource to manufacture chemicals (formic acid, acetic acid, and carbonates) and fuels (methanol, ethanol, etc.). [4] However, the thermodynamic stability of CO 2 molecule (π-conjugated stable structure) puts forward a critical impediment in CO 2 use and thus, its use as chemical feedstock is presently limited to few industrial processes such as urea production and methane synthesis in Powerto-Methane plants. Moreover, the phase transformation in its conversion process, i.e., final products in liquid phase (e.g., methanol and ethanol), while reactants (CO 2 and H 2 ) in gaseous phase, renders the reaction entropically less favorable. All the above limitations led to the advent of CO 2 conversion in presence of high-performance metal-based catalyst for activating CO 2 molecule under milder conditions. [5] CO 2 hydrogenation over metal-based catalysts can effectively produce methanol (CH 3 OH) which is one of the most promising environment-benign fuels. Although, several approaches for CO 2 conversion to methanol such as electrochemical, photochemical, and thermochemical processes have been investigated but among them, only thermochemical route has given high conversion yields for methanol synthesis. [2,6,7] Methanol can be used as a blending component or replacement for gasoline in IC engines for improving the octane rating and reducing the emissions of SOx, NOx, and hydrocarbons. Also, its storage and transportation is comparatively easier than gasoline as it is less flammable and exists in liquid state at room temperature. [8] Moreover, methanol can be employed as chemical feedstockThe hydrogenation of CO 2 to methanol has been studied by several researchers owing to its two significant merits, namely, mitigation of CO 2 emissions and production of renewable fuel. Consequently, numerous experiments have been reported for carbon-neutral methanol synthesis over copper-based catalysts over the past few years. However, it is very expensive and time-consuming to always observe reaction changes with respect to input parameters (operating conditions and catalytic properties) experimentally. Herein, this study develops an ultrafast machine learning (ML) based framework to predict CO 2 conversion and methanol selectivity by comprehensive knowledge extraction (extensive database construction) from existing published literature. Among...

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“…As a new frontier in porous materials, metal–organic frameworks (MOFs) composed of inorganic clusters bridged by organic ligands are an important family of crystalline porous materials. − The intrinsic properties of MOFs, such as porous structures, ultrahigh surface areas, designable structures, and high porosities, endow them with great potential for CO 2 capture and separation. − The ideal MOFs for CO 2 capture should have good capacity and high selectivity, which are realized through two aspects: the pore size-based sieving effect and altering the affinity of the network toward CO 2 . Numerous functionalities, including heteroaromatic N atoms, − amino groups, , open metal sites, and polarizing organic groups, − have been employed with MOFs to make them excellent CO 2 adsorbents.…”

Section: Introductionmentioning

confidence: 99%

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

Shi

et al. 2022

Crystal Growth & Design

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It is highly desired to develop a porous adsorbent for selective CO 2 capture from flue gas, which meets the goal of environmental protection and energy safety. Herein, three isoreticular Cu(II)−pyrazolate−carboxylate frameworks (FJU-26, FJU-27, and FJU-28) were constructed through regulation of the ligand size. Among them, FJU-27 was constructed using the ligands (H 2 NDI: 2,7-bis(3,5-dimethyl) dipyrazol-1,4,5,8-naphthalene tetracarboxydiimide and H 2 BDC: 1,4-dicarboxybenzene) with appropriate lengths, which gave multipoint intermolecular hydrogen-bonding interactions and resulted in a robust structure with suitable pore size and affinity toward CO 2 . As expected, FJU-27a exhibited a higher CO 2 uptake capacity (2.54 mmol g −1 ) under ambient conditions with an uptake ratio of 5.3 for CO 2 /N 2 gas systems, in contrast to 0.92 mmol g −1 and 1.9 for the flexible FJU-28a, while a collapse occurred in FJU-26a (the activated samples were named FJU-26a, FJU-27a, and FJU-28a, respectively). Moreover, the higher selectivity of CO 2 for FJU-27a was ascertained by configurational bias Monte Carlo molecular simulations. Meanwhile, dynamic breakthrough experiments of FJU-27a toward a CO 2 /N 2 mixture proved to be a potential candidate for the synthesis of a practical metal−organic framework for CO 2 capture.

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Understanding the opportunities of metal–organic frameworks (MOFs) for CO₂capture and gas-phase CO₂conversion processes: a comprehensive overview

Abstract: TThe rapid increase in the concentrations of atmospheric carbon dioxide is one of the most pressing problems facing our planet. This challenge has motivated the development of different strategies not...

Cited by 33 publications

References 228 publications

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

Forecasting Catalytic Property‐Performance Correlations for CO₂ Hydrogenation to Methanol via Surrogate Machine Learning Framework

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture

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Understanding the opportunities of metal–organic frameworks (MOFs) for CO2capture and gas-phase CO2conversion processes: a comprehensive overview

Abstract: TThe rapid increase in the concentrations of atmospheric carbon dioxide is one of the most pressing problems facing our planet. This challenge has motivated the development of different strategies not...

Cited by 33 publications

References 228 publications

Insight into CO selective chemisorption from syngas mixtures through Li2MnO3; a new H2 enrichment material

Insight into CO selective chemisorption from syngas mixtures through Li2MnO3; a new H2 enrichment material

Forecasting Catalytic Property‐Performance Correlations for CO2 Hydrogenation to Methanol via Surrogate Machine Learning Framework

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO2 Capture

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Understanding the opportunities of metal–organic frameworks (MOFs) for CO₂capture and gas-phase CO₂conversion processes: a comprehensive overview

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

Insight into CO selective chemisorption from syngas mixtures through Li₂MnO₃; a new H₂ enrichment material

Forecasting Catalytic Property‐Performance Correlations for CO₂ Hydrogenation to Methanol via Surrogate Machine Learning Framework

Isoreticular Double Interpenetrating Copper–Pyrazolate–Carboxylate Frameworks for Efficient CO₂ Capture