Competitive transport and adsorption of CO2/H2O in the graphene nano-slit pore: A molecular dynamics simulation study

Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 353, P. 128394 - 128394

Published: June 12, 2024

Language: Английский

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Maximizing the utilization of Calcium species in the supercages of CaNa-FAU zeolite for efficient CO2 capture

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 481, P. 148661 - 148661

Published: Jan. 9, 2024

Language: Английский

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Computational and Machine Learning Methods for CO₂ Capture Using Metal–Organic Frameworks

ACS Nano, Journal Year: 2024, Volume and Issue: 18(35), P. 23842 - 23875

Published: Aug. 22, 2024

Machine learning (ML) using data sets of atomic and molecular force fields (FFs) has made significant progress provided benefits in the chemistry material science. This work examines interactions between materials computational science at scales for metal-organic framework (MOF) adsorbent development toward carbon dioxide (CO

Language: Английский

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Architecting Metal–Organic Frameworks at Molecular Level toward Direct Air Capture

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 7, 2025

Escalating carbon dioxide (CO2) emissions have intensified the greenhouse effect, posing a significant long-term threat to environmental sustainability. Direct air capture (DAC) has emerged as promising approach achieving net-zero future, which offers several practical advantages, such independence from specific CO2 emission sources, economic feasibility, flexible deployment, and minimal risk of leakage. The design optimization DAC sorbents are crucial for accelerating industrial adoption. Metal-organic frameworks (MOFs), with high structural order tunable pore sizes, present an ideal solution strong guest-host interactions under trace conditions. This perspective highlights recent advancements in using MOFs DAC, examines molecular-level effects water vapor on capture, reviews data-driven computational screening methods develop molecularly programmable MOF platform identifying optimal sorbents, discusses scale-up cost DAC.

Language: Английский

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Porous carbon materials for CO2 capture, storage and electrochemical conversion

Materials Reports Energy, Journal Year: 2023, Volume and Issue: 3(2), P. 100199 - 100199

Published: April 28, 2023

Continuous accumulation and emission into the atmosphere of anthropogenic carbon dioxide (CO2), a major greenhouse gas, has been recognized as primary contributor to climate change associated with global warming acidification oceans. This led drastic changes in natural ecosystem, hence an unhealthy ecological environment for human society. Thus, effective mitigation ever increasing CO2 most important challenge. To achieve zero footprint, novel materials approaches are required potentially reducing release, while our current fossil-fuel-based energy must be replaced by renewable free from emissions. In this paper, porous carbons hierarchical pore structures promising adsorption electrochemical reduction owing their high specific surface area, excellent catalytic performance, low cost long-term stability. Since efficient gas-phased (electro)catalysis involves access reactants active sites at gas-liquid-solid triple phase, possess multiple advantages various CO2-related applications enhanced volumetric gravimetric activities (e.g., uptake density) practical operations. Recent studies have demonstrated that exhibited notable adsorbents provided facile conducting pathways mass diffusion channels even under operation conditions. Herein, we summarize recent advances capture, storage, conversion. Prospectives challenges on rational design scalable capture conversion also discussed.

Language: Английский

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Direct Air Capture of CO₂ Using Amine/Alumina Sorbents at Cold Temperature

ACS Environmental Au, Journal Year: 2023, Volume and Issue: 3(5), P. 295 - 307

Published: June 29, 2023

Rising CO2 emissions are responsible for increasing global temperatures causing climate change. Significant efforts underway to develop amine-based sorbents directly capture from air (called direct (DAC)) combat the effects of However, sorbents' performances have usually been evaluated at ambient (25 °C) or higher, most often under dry conditions. A significant portion natural environment where DAC plants can be deployed experiences below 25 °C, and always contains some humidity. In this study, we assess adsorption behavior amine (poly(ethyleneimine) (PEI) tetraethylenepentamine (TEPA)) impregnated into porous alumina cold (−20 humid capacities °C 400 ppm highest 40 wt% TEPA-incorporated γ-Al2O3 samples (1.8 mmol CO2/g sorbent), while wt % PEI-impregnated exhibit moderate uptakes (0.9 g–1). both PEI- decrease with decreasing content temperatures. The 20 TEPA show best performance −20 conditions (1.6 1.1 g–1, respectively). Both also stable high working 1.2 g–1) across 10 cycles adsorption–desorption (adsorption desorption conducted 60 °C). Introducing moisture (70% RH improves capacity amine-impregnated PEI, TEPA, good results presented here indicate that PEI potential materials conditions, further opportunities optimize these scalable deployment different environmental

Language: Английский

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Dynamic confinement catalysis in Fe-based CO2 hydrogenation to light olefins

Applied Catalysis B Environment and Energy, Journal Year: 2023, Volume and Issue: 328, P. 122506 - 122506

Published: Feb. 22, 2023

Language: Английский

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Microporous metal-organic framework materials for efficient capture and separation of greenhouse gases

Science China Chemistry, Journal Year: 2023, Volume and Issue: 66(8), P. 2181 - 2203

Published: June 29, 2023

Language: Английский

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Single-Walled Zeolitic Nanotubes: Advantaged Supports for Poly(ethylenimine) in CO₂ Separation from Simulated Air and Flue Gas

JACS Au, Journal Year: 2023, Volume and Issue: 3(1), P. 62 - 69

Published: Jan. 4, 2023

Previous research has demonstrated that amine polymers rich in primary and secondary amines supported on mesoporous substrates are effective, selective sorbent materials for removal of CO2 from simulated flue gas air. Common used include alumina silica (such as SBA-15 MCM-41). Conventional microporous generally less since the pores too small to support low volatility amines. Here, we deploy our newly discovered zeolite nanotubes, a first-of-their-kind quasi-1D hierarchical zeolite, substrate poly(ethylenimine) (PEI) capture dilute feeds. PEI is impregnated into at specific organic loadings. Thermogravimetric analysis porosity measurements obtained determine loading, pore filling, surface area prior studies. MCM-41 with comparable size also provide benchmark material allows insight role nanotube intrawall micropores uptake rates capacities. Over range loadings, 20 70 w/w%, increased capacity over by ∼25%. Additionally, kinetics nanotube-supported roughly 4 times faster than SBA-15. It anticipated this new will offer numerous opportunities engineering additional advantaged reaction separation processes.

Language: Английский

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CO2 adsorption using functionalized metal–organic frameworks under low pressure: Contribution of functional groups, excluding amines, to adsorption

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 481, P. 148440 - 148440

Published: Dec. 30, 2023

Language: Английский

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