Effect analysis of pore wall thickness, pore size, and functional group of activated carbon on adsorption behavior based on molecular simulation

Huang, Weiqiu; Fu, Lipei; Zhang, Yilong; Wu, Nanhua; Zhu, Jiahui; Xue, Xiaoxiao; Lyu, Aihua

doi:10.1007/s11356-021-14355-x

Cited by 19 publications

(4 citation statements)

References 41 publications

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“…VOCs are primarily discharged from industries, such as organic chemicals, printing, and paint, with considerable adverse effects on the environment (Wang et al 2013 ; Liu et al 2019a , b ). The adsorption of VOCs on activated carbons depends on different factors, including the surface area, pore size, and the surface functional groups from one side, and characteristics of volatile molecules such as polarity, weight, and hydrophobicity (Lucena et al 2012 ; Huang et al 2021 ; Rahbar-Shamskar et al 2022 ). Biomass-based activated carbon materials were used as adsorbents to capture VOC materials (Ikram et al 2022 ).…”

Section: Adsorption Of Pollutants In Air Phasementioning

confidence: 99%

Valorization of lignocellulosic biomass into sustainable materials for adsorption and photocatalytic applications in water and air remediation

Mergbi,

Galloni,

Aboagye

et al. 2023

Environ Sci Pollut Res

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An exponential rise in global pollution and industrialization has led to significant economic and environmental problems due to the insufficient application of green technology for the chemical industry and energy production. Nowadays, the scientific and environmental/industrial communities push to apply new sustainable ways and/or materials for energy/environmental applications through the so-called circular (bio)economy. One of today’s hottest topics is primarily valorizing available lignocellulosic biomass wastes into valuable materials for energy or environmentally related applications. This review aims to discuss, from both the chemistry and mechanistic points of view, the recent finding reported on the valorization of biomass wastes into valuable carbon materials. The sorption mechanisms using carbon materials prepared from biomass wastes by emphasizing the relationship between the synthesis route or/and surface modification and the retention performance were discussed towards the removal of organic and heavy metal pollutants from water or air (NOx, CO2, VOCs, SO2, and Hg0). Photocatalytic nanoparticle–coated biomass-based carbon materials have proved to be successful composites for water remediation. The review discusses and simplifies the most raised interfacial, photonic, and physical mechanisms that might take place on the surface of these composites under light irradiation. Finally, the review examines the economic benefits and circular bioeconomy and the challenges of transferring this technology to more comprehensive applications.

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Section: Adsorption Of Pollutants In Air Phasementioning

confidence: 99%

Valorization of lignocellulosic biomass into sustainable materials for adsorption and photocatalytic applications in water and air remediation

Mergbi,

Galloni,

Aboagye

et al. 2023

Environ Sci Pollut Res

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“…Porous carbon foam (PCF) emerges as a widely employed solution for the adsorption and separation of VOCs within the realm of oil and gas storage and transportation. This preference is attributed to its diverse raw material sources, expansive surface area, distinctive porous structure, and controlled surface functional groups [13][14][15].…”

Section: Introductionmentioning

confidence: 99%

Amino Acid-Modified Porous Carbon Foams Derived from Wheat Powder with Enhanced Adsorption Performance for VOCs

Chai,

Huang,

et al. 2024

Korean J. Chem. Eng.

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Porous Carbon Foam (PCF), known for its high surface area and abundant functional groups, is considered to exhibit superior adsorption capacity and wide applicability for gases. Wheat, being a widely cultivated and easily accessible crop globally, contains abundant carbon elements. In this study, wheat powder served as the carbon precursor, and β-alanine, rich in amino and carboxyl groups, was introduced into the hierarchical pore structure of wheat powder. Subsequently, the material underwent secondary hydrothermal treatment with the activation agent potassium hydroxide (KOH), resulting in Hydrothermal Wheat Powder PCF (HWPCF) rich in a three-dimensional interconnected structure with layered pores as the representative feature. This structural treatment increased the speci c surface area (2278 m 2 •g − 1 ) and total pore volume (1.17 cm 3 •g − 1 ) of PCF, accelerating the rapid mass transfer of gas molecules and signi cantly enhancing the utilization of adsorption sites in the modi ed PCF. HWPCF exhibited outstanding adsorption performance for acetone (608.7 mg/g) and n-hexane (517.6 mg/g). Additionally, the modi ed PCF showed good adsorption capacity for CO 2 (4.99 mmol•g − 1 ). This study highlights the effective modi cation of expired wheat powder with β-alanine, reducing the overall carbon footprint of the production process and achieving the reuse of waste in an environmentally friendly manner. HighlightsWheat powder-based porous carbon foam was synthesized via hydrothermal carbonization followed by KOH activation.The addition of β-alanine promoted the cleavage of polysaccharides between the ring structural units.The resulting HWPCF demonstrated exceptional textural characteristics along with remarkable adsorption capacity towards VOC S .

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“…How to choose a suitable hydrophobic modifier is one of the key issues in the hydrophobic modification of silica gel . Different from experimental studies, molecular simulation could provide molecular-level adsorption behavior information, which could help in clarifying the adsorption mechanism. − Herein, to quickly screen the potential hydrophobic modifiers, the molecular simulation will be applied to predict and analyze the adsorption of VOCs on the silica gels modified by different functional groups at the molecular level. − …”

Section: Introductionmentioning

confidence: 99%

Design and Synthesis of a Water-Resistant Mesoporous Silica Gel for the VOC Adsorption–Desorption Treatment

Li,

Cai,

Liu

et al. 2023

Ind. Eng. Chem. Res.

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Effect analysis of pore wall thickness, pore size, and functional group of activated carbon on adsorption behavior based on molecular simulation

Cited by 19 publications

References 41 publications

Valorization of lignocellulosic biomass into sustainable materials for adsorption and photocatalytic applications in water and air remediation

Valorization of lignocellulosic biomass into sustainable materials for adsorption and photocatalytic applications in water and air remediation

Amino Acid-Modified Porous Carbon Foams Derived from Wheat Powder with Enhanced Adsorption Performance for VOCs

Design and Synthesis of a Water-Resistant Mesoporous Silica Gel for the VOC Adsorption–Desorption Treatment

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