Reactive capture and electrochemical conversion of CO₂ with ionic liquids and deep eutectic solvents

Chemical Society Reviews, Год журнала: 2024, Номер 53(17), С. 8563 - 8631

Опубликована: Янв. 1, 2024

Ionic liquids (ILs) and deep eutectic solvents (DESs) have tremendous potential for reactive capture of CO 2 , due to their highly properties, including a wide electrochemical stability window, low volatility, high solubility.

Язык: Английский

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Machine Learning Accelerated Discovery of Covalent Organic Frameworks for Environmental and Energy Applications

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Март 30, 2025

Covalent organic frameworks (COFs) are porous crystalline materials obtained by linking ligands covalently. Their high surface area and adjustable pore sizes make them ideal for a range of applications, including CO2 capture, CH4 storage, gas separation, catalysis, etc. Traditional methods material research, which mainly rely on manual experimentation, not particularly efficient, while with advancements in computer science, high-throughput computational screening based molecular simulation have become crucial discovery, yet they face limitations terms resources time. Currently, machine learning (ML) has emerged as transformative tool many fields, capable analyzing large data sets, identifying underlying patterns, predicting performance efficiently accurately. This approach, termed "materials genomics", combines ML to predict design high-performance materials, significantly speeding up the discovery process compared traditional methods. review discusses functions screening, design, prediction COFs highlights their applications across various domains like thereby providing new research directions enhancing understanding COF applications.

Язык: Английский

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Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

Advanced Materials, Год журнала: 2024, Номер unknown

Опубликована: Июль 27, 2024

Abstract Metal–organic frameworks (MOFs), renowned for their exceptional porosity and crystalline structure, stand at the forefront of gas adsorption separation applications. Shortly after discovery through experimental synthesis, computational simulations quickly become an important method in broadening use MOFs by offering deep insights into structural, functional, performance properties. This review specifically addresses pivotal role molecular enlarging understanding enhancing applications, particularly adsorption. After reviewing historical development implementation simulation methods field MOFs, high‐throughput screening (HTCS) studies used to unlock potential CO 2 capture, CH 4 storage, H water harvesting are visited recent advancements these applications highlighted. The transformative impact integrating artificial intelligence with HTCS on prediction MOFs’ directing efforts promising materials is addressed. An outlook current opportunities challenges accelerate finally provided.

Язык: Английский

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Carbon Dioxide Capture by Emerging Innovative Polymers: Status and Perspectives

Advanced Materials, Год журнала: 2024, Номер 36(30)

Опубликована: Май 6, 2024

Abstract A significant amount of research has been conducted in carbon dioxide (CO 2 ) capture, particularly over the past decade, and continues to evolve. This review presents most recent advancements synthetic methodologies CO capture capabilities diverse polymer‐based substances, which includes amine‐based polymers, porous organic polymeric membranes, covering publications last 5 years (2019–2024). It aims assist researchers with new insights approaches develop innovative materials improved capturing capacity, efficiency, sustainability, cost‐effective, thereby addressing current obstacles storage sooner meeting net‐zero emission target.

Язык: Английский

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Ionic Liquid-Functionalized Metal–Organic Frameworks/Covalent–Organic Frameworks for CO₂ Capture and Conversion

Industrial & Engineering Chemistry Research, Год журнала: 2024, Номер 63(8), С. 3443 - 3464

Опубликована: Фев. 14, 2024

CO2 capture and conversion have garnered worldwide attention in view of the objective sustainable development carbon neutrality. Recently, ionic liquid-functionalized metal–organic frameworks (MOFs) or covalent–organic (COFs) (MOFs/COFs) offer a rising platform for effective separation from specific gas mixture into value-added chemicals. Benefiting synergistic effect offered by ILs MOFs/COFs, IL-MOFs/COFs exhibit better exceptional adsorption/catalytic performance than pristine MOFs/COFs ILs. Herein, review intends to establish primary database recently emerging conversion, covering functionalization strategies, interaction between representative applications, aiding rational design optimization novel with properties real-world application. Along this line, different systems (CO2/N2, CO2/CH4, CO2/C2H2) further multiproducts (cyclic carbonate, hydrocarbon, alcohol, others), along mechanism insight such processes are summarized discussed. Furthermore, challenges prospects topical fields been elaborated.

Язык: Английский

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Efficient separation of CO2/CH4 by covering ultrathin ionic liquid film on COF membrane

Journal of Membrane Science, Год журнала: 2024, Номер 701, С. 122766 - 122766

Опубликована: Апрель 10, 2024

Язык: Английский

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Assessing CO2 Separation Performances of IL/ZIF-8 Composites Using Molecular Features of ILs

Carbon Capture Science & Technology, Год журнала: 2025, Номер 14, С. 100373 - 100373

Опубликована: Янв. 21, 2025

Язык: Английский

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Efficient separation of dyes/salts using ionic liquid-modified covalent organic framework THPC-PEI/COFs-NH2PES composite nanofiltration membrane

Separation and Purification Technology, Год журнала: 2025, Номер unknown, С. 131857 - 131857

Опубликована: Янв. 1, 2025

Язык: Английский

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Accelerated Discovery of Metal–Organic Frameworks for CO₂ Capture by Artificial Intelligence

Industrial & Engineering Chemistry Research, Год журнала: 2023, Номер 63(1), С. 37 - 48

Опубликована: Дек. 25, 2023

The existence of a very large number porous materials is great opportunity to develop innovative technologies for carbon dioxide (CO2) capture address the climate change problem. On other hand, identifying most promising adsorbent and membrane candidates using iterative experimental testing brute-force computer simulations challenging due enormous variety materials. Artificial intelligence (AI) has recently been integrated into molecular modeling materials, specifically metal–organic frameworks (MOFs), accelerate design discovery high-performing adsorbents membranes CO2 adsorption separation. In this perspective, we highlight pioneering works in which AI, simulations, experiments have combined produce exceptional MOFs MOF-based composites that outperform traditional capture. We outline future directions by discussing current opportunities challenges field harnessing experiments, theory, AI accelerated

Язык: Английский

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In situ rapid synthesis of ionic liquid/ionic covalent organic framework composites for CO₂ fixation

Chemical Communications, Год журнала: 2023, Номер 59(97), С. 14435 - 14438

Опубликована: Янв. 1, 2023

IL/ICOF composites were in situ synthesized via a one-pot route half an hour under ambient conditions for catalytic cycloaddition of CO2 with epoxides into cyclic carbonates. The prepared feature decent adsorption capacity 1.63 mmol g-1 at 273 K and 1 bar exhibit excellent performance terms yield durability. This work may pave new way to design construct functionalized porous organic frameworks as heterogeneous catalysts capture conversion.

Язык: Английский

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