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ENERGY · 2023 · IF 9

Study of gas-liquid two-phase flow characteristics in hydrate-bearing sediments

Ningtao Zhang,Shuxia Li,Litao Chen,Yang Guo,Lu Liu

The characteristics of gas-liquid two-phase flow in hydrate-bearing sediments (HBS) are critical for natural gas hydrate production . This study experimentally investigates the flow patterns in the presence of hydrates and employs the phase field method for accurate simulations. Additionally, flow pressure differences in a capillary model were analyzed, and the impacts of occurrence patterns, saturation, and wettability of hydrates were investigated by numerical simulation. The results show that flow patterns are predominantly influenced by flow velocity. At high flow rates (Reynolds number >10), different gas-liquid ratios result in a variety of flow patterns, including annular, Taylor, and bubble flow. However, at lower flow rates (Reynolds number <10), the flow pattern consistently manifests as Taylor flow, regardless of gas-liquid ratio variations. Notably, the Jamin effect (a significant pressure differential caused by hydrates within the flow) was observed, which intensifies with increasing hydrate saturation and decreasing contact angle. Pore-filling hydrate patterns, in contrast to grain-coating, exhibit a greater number of gas-liquid interfaces, leading to larger pressure differences and a more evident Jamin effect. These findings aid in understanding the fluid migration in HBS and help estimate the natural gas production capacity.

CAS / MDL: 25249-54-1 9003-39-8
研究领域: 石油工程 · 地质学 · 流体力学
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CHEMICAL PHYSICS · 2024 · IF 2

Adsorption and desorption mechanism of toluene gas by iron modified activated carbon fiber

Wenjuan Wu,Kai Cheng,Yeye Hu,Han He,Pan Wang,Chengzhu Zhu

To enhance the adsorption performance of activated carbon fiber (ACF) on volatile organic compounds such as toluene, a series of Fe x /ACF adsorption materials were prepared by impregnation and anaerobic atmosphere calcination. The various adsorption effects of Fe x /ACF on toluene under different synthesis conditions were discussed, and both the modified and unmodified adsorption materials were characterized by using N 2 adsorption–desorption isotherms, XRF, XRD, FT-IR, SEM, and XPS etc methods. The results indicated that iron modified ACF demonstrated the optimal adsorption performance when ACF was loaded with 3 % iron and calcined at 500 °C, and it achieved a saturated toluene adsorption capacity of 218.12 mg/g, which was 24 % higher than that of the unmodified sample. And its adsorption process of toluene followed Yoon-Nelson model. The adsorption capacity was maintained at approximately 70 % when four adsorption/desorption cycle tests. The toluene adsorption performance of Fe 0.03 /ACF-500 on toluene mainly involved surface adsorption (such as n-π interaction, and π-π interaction), pore filling, and complexation between the loaded metal iron and toluene.

CAS / MDL: 7782-61-8
研究领域: 材料科学 · 环境科学
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Journal of Water Process Engineering · 2025 · IF 6.7

Beyond electrostatic interaction: Ball milling-induced dominance of pore filling and π-π stacking for methylene blue adsorption on tobacco stem derived activated carbon

Dong-Can Lv,Meng-Ru Chen,Mei-Rong Song,Guang-Ce Jiang,Zhi-Min Wang

Conventional understanding of cationic dye adsorption on carbonaceous materials predominantly emphasizes electrostatic attraction. Herein, we report a ball-milled tobacco stem-derived activated carbon (BMTSAC) that exhibits superior adsorption capacity for methylene blue (MB) via a distinct and more resilient mechanism. Ball milling reduced the particle size to 440 nm and increased the specific surface area to 1171.5 m 2 /g, while concurrently modifying the surface chemistry and pore structure that fundamentally shifted the dominant adsorption pathway. The key finding is the dominance of non-electrostatic interactions, namely pore filling and π-π stacking, over electrostatic attraction. This was evidenced by the high MB uptake (520.7 mg/g) under highly acidic conditions (pH = 2.0), far below the point of zero charge (pH PZC  = 3.0), and the material's robust performance under high ionic strength. The adsorption process followed the pseudo-second-order kinetic and Langmuir isotherm models, with a maximum adsorption capacity of 776.3 mg/g. The revelation of this mechanism shift underscores the superior potential of BMTSAC for treating complex industrial wastewater where pH fluctuates and ionic strength is high. After 5 cycles, BMTSAC maintained excellent reusability with only a 10.6 % capacity loss, further supporting its strong practical application prospects.

CAS / MDL: 7647-01-0 7647-14-5
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2021 ·Vol. 29 ·期 13 ·18680-18688 · IF 4.223

Adsorption behavior and mechanism of sulfonamides on controllably synthesized covalent organic frameworks

Sun Wenjing,Hu Xiaoyu,Xiang Yuhong,Ye Nengsheng

In this work, four kinds of covalent organic framework (COF) materials (TpPa-1, TpBD, TpDT, and TFBBD) with different pore sizes or functional groups were synthesized by an ultrasonic method for the adsorption of five sulfonamides. Optimization experiments regarding the adsorption time, vortex speed, and pH were carried out to improve adsorption efficiency. In addition, kinetic and thermodynamic experiments were conducted to explore the adsorption mechanism of the sulfonamides on the different COFs. The adsorption processes of the five sulfonamides on the four COFs fit the pseudo-second-order kinetic model and Langmuir adsorption isotherm model. Additionally, pore filling, hydrogen bond interactions, and electrostatic attraction were found to be the main adsorption mechanisms.

研究领域: 环境科学 · 材料科学
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Nanomaterials · 2022 ·Vol. 12 ·期 20 ·3653 · IF 5.719

Low-Temperature Processed Brookite Interfacial Modification for Perovskite Solar Cells with Improved Performance

Jiandong Yang,Jun Wang,Wenshu Yang,Ying Zhu,Shuang Feng,Pengyu Su,Wuyou Fu

The scaffold layer plays an important role in transporting electrons and preventing carrier recombination in mesoporous perovskite solar cells (PSCs), so the engineering of the interface between the scaffold layer and the light absorption layer has attracted widespread concern. In this work, vertically grown TiO2nanorods (NRs) as scaffold layers are fabricated and further treated with TiCl4aqueous solution. It can be found that a thin brookite TiO2nanoparticle (NP) layer is formed by the chemical bath deposition (CBD) method on the surface of every rutile NR with a low annealing temperature (150 °C), which is beneficial for the infiltration and growth of perovskite. The PSC based on the TiO2NR/brookite NP structure shows the best power conversion of 15.2%, which is 56.37% higher than that of the PSC based on bare NRs (9.72%). This complex structure presents an improved pore filling fraction and better carrier transport capability with less trap-assisted carrier recombination. In addition, low-annealing-temperature-formed brookite NPs possess a more suitable edge potential for electrons to transport from the perovskite layer to the electron collection layer when compared with high-annealing-temperature-formed anatase NPs. The brookite phase TiO2fabricated at a low temperature presents great potential for flexible PSCs.Keywords:brookite;nanorods;pore filling;perovskite solar cell;interfacial modification;energy band

研究领域: 材料科学 · 太阳能 · 纳米技术
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ACS Applied Energy Materials · 2020 · IF 4.473

Reinforced Poly(ether ether ketone)/Nafion Composite Membrane with Highly Improved Proton Conductivity for High Concentration Direct Methanol Fuel Cells

Chongyang Zhang,Xigui Yue,Jiashuang Luan,Nan Lu,Yongfeng Mu,Shuling Zhang,Guibin Wang

The composite membranes that combine pore-filling with a matrix having precisely assembled sulfonated groups are designed here for use in the applications of direct methanol fuel cells. A porous crystalline poly(ether ether ketone)/sulfonated poly(ether ether ketone) blended matrix with continuous pore structures is first fabricated using a phase inversion process. Solvent treatment of the porous matrix is then employed to induce the enrichment of sulfonated groups at the pore surfaces, based on the interaction between the solvent and functional groups in polymer chains. This strategy effectively shortens the proton transport path, accelerating the proton transfer rate. The pores of the matrix are then filled with Nafion ionomers, resulting in a reinforced composite membrane consisting of interconnected hydrophilic domains in a fuel-insulating rigid matrix. A single cell made using the novel composite membrane exhibits a relatively high power density of 91.7 mW/cm2 and an open circuit voltage of 0.67 V at 70 °C using 10 M methanol, significantly higher than a test device made using Nafion 117. This work supplies a simple and highly efficient strategy to address the low proton conductivity that is normally seen in composite membranes made using pore-filling technology.

研究领域: 材料科学 · 能源工程
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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Efficient adsorption removal of carbamazepine from water by dual-activator modified hydrochar

Hua Zhong,Guangju Zhu,Zhuozhuo Wang,Xiaochang Liu,Hua Zhang,Yanling Qiu,Daqiang Yin,Zhiliang Zhu

The decontamination of trace micropollutants from water environments is a widely concerned issue, and developing green and efficient adsorbent serves as an effective solution. In this study, using dual-activator modification method, an efficient hydrochar adsorbent was prepared through a two-step sequential process combining H 3 PO 4 hydrothermal treatment with K 2 CO 3 pyrolysis activation for carbamazepine (CBZ) adsorption removal. The results indicated that H 3 PO 4 facilitated the K 2 CO 3 activation process. The prepared hydrochar exhibited excellent adsorption properties due to its high specific surface area (1265.08 m 2 ·g −1 ) and aromatic porous mesh structure, with the maximum and dynamic adsorption capacity for CBZ of 376.11 and 296.98 mg·g −1 , respectively. The adsorption mechanism primarily involved pore-filling effects, π-π electron-donor–acceptor (EDA) interactions and hydrophobic interactions. Additionally, the obtained hydrochar material showed high adsorption efficiency for various pollutants and performed well in actual water samples. This study may provide theoretical and technical support for the development and application of high-efficiency hydrochar-based adsorbents.

CAS / MDL: 584-08-7
研究领域: 环境科学 · 材料科学
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SCIENCE OF THE TOTAL ENVIRONMENT · 2022 · IF 10.753

Adsorption of soil organic matter by gel-like ferrihydrite and dense ferrihydrite

Xiaobo Gu,Wenhao Wu,Daohui Lin,Kun Yang

Soil is the largest terrestrial carbon pool, and adsorption of soil organic matter (SOM) by ferrihydrite is an essential geochemical process for preservation of organic carbon in soil. Freshly formed gel-like ferrihydrite and seasonally dried dense ferrihydrite are two typical morphologies of ferrihydrite in soil. However, the differences in SOM adsorption by gel-like ferrihydrite and dense ferrihydrite and the underlying mechanisms are unknown. In this study, adsorption of eight SOM or SOM-like compounds by gel-like ferrihydrite and dense ferrihydrite were compared. It was observed that the adsorption capacity of SOM by gel-like ferrihydrite (e.g., 304 mg C/g) was two orders of magnitude higher than that by dense ferrihydrite (e.g., 3.44 mg C/g). SOM adsorbed by the nanosized gel-like ferrihydrite could be mainly attributed to the heteroaggregation, confirmed by not only the TEM images but also the positive linear correlation between adsorption capacity and molecular weight of SOM. However, SOM adsorbed by the microsized dense ferrihydrite should be attributed to the pore-filling adsorption with molecular sieve effects, confirmed by the negative linear correlation between adsorption capacity and molecular weight of SOM. The obtained results could provide a new insight to understand the preservation of organic carbon by ferrihydrite in soil.

CAS / MDL: 1415-93-6 88-99-3
研究领域: 环境科学 · 土壤学 · 地球化学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2025 · IF 5.4

Alkali activation and carbonization synergy: Unlocking the potential of Auricularia auricula biochar for efficient naproxen adsorption

Zhenxing Tan,Junxian Wu,Yuyin Lin,Wenxia Wang,Yong Yuan,Lihua Zhou

To effectively eliminate the widely detected naproxen (NPX) pollutant in the aqueous environment, it is essential to explore eco-friendly materials. Recently, biochar as an adsorbent material attracted considerable attention, owing to its unique ability to remove organic pollutants from water. Herein, Auricularia auricula biochar (a-BC-800) was fabricated through alkali treatment of Auricularia auricula biomass for activation, followed by carbonization at 800°C. Characterization via scanning electron microscopy and Brunauer-Emmett-Teller revealed that a-BC-800 possesses a very high specific surface area (SSA) of 1660 m²/g and a complex mesoporous structure properties. The combination of alkali activation and high-temperature carbonization was crucial for enhancing the SSA of the biochar. a-BC-800 exhibited a maximum adsorption capacity of approximately 300 mg/g, outperforming most NPX adsorbent materials reported in the literature. The NPX adsorption process closely aligns with the pseudo-second-order kinetic model and the Freundlich isotherm model. Analysis of the adsorption mechanism revealed that π-π interactions, pore filling, and van der Waals forces were the primary mechanisms responsible for the efficient adsorption of NPX by a-BC-800. This study demonstrates that the combination of high-temperature treatment and alkali activation is an effective strategy for enhancing the adsorption performance of Auricularia auricula biochar for NPX, offering significant potential for the efficient removal of environmental pollutants.

CAS / MDL: 22204-53-1
研究领域: 环境科学 · 材料工程 · 化学工程 · 水污染控制 · 吸附技术
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ENVIRONMENTAL POLLUTION · 2023 · IF 8.9

Competitive adsorption of sulfamethoxazole and bisphenol A on magnetic biochar: Mechanism and site energy distribution

Ruotong Jin,Cailian Zhao,Yanxing Song,Xiaojie Qiu,Chenxi Li,Yingxin Zhao

Competitive adsorption and complementary adsorption between emerging pollutants has been observed in multiple studies. Investigation of the preference of pollutants for different types of adsorption sites can provide a supplementary perspective for understanding complementary adsorption. In this study, the simultaneous adsorption of two typical emerging pollutants, sulfamethoxazole (SMX) and bisphenol A (BPA), on magnetic biochar (MBC-1) was investigated. The results showed that the modification with ferric chloride optimized the surface properties of biochar (aromaticity, hydrophobicity , and oxygen-containing functional groups, etc.), and helped to remove SMX and BPA through various interactions. The equilibrium adsorption capacity of the two adsorbents was inhibited by competitive adsorption in the mixed solute systems, which was due to the same adsorption mechanism. When pH = 7, the SMX and BPA adsorption mainly involved pore filling, hydrophobic effect, π-π EDA, and hydrogen bonding. In addition, electrostatic force, surface coordination, and ion exchange have also been proven to be related to the adsorption of SMX and BPA. In the co-adsorption system, BPA's competitive advantage might be due to its superior hydrophobicity, charge property, and molecular diameter. In the competitive adsorption experiment, the total adsorption capacity (Q i ) of the competitive solute exceeded the adsorption inhibition (△Q i ) of the main solute, indicating that the two solutes occupied their preferred adsorption sites, which confirmed the complementary adsorption phenomenon. Complementary adsorption can be explained by the preference of SMX and BPA for different types of adsorption sites. BPA preferentially occupied high-energy sites in the co-adsorption system, such as π-π EDA interaction, ion exchange, and surface coordination. At the same time, SMX tended to be removed by hydrophobic interaction and hydrogen bonding.

CAS / MDL: 7705-08-0
研究领域: 环境科学 · 化学工程 · 材料科学
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ENVIRONMENTAL SCIENCE & TECHNOLOGY · 2025 · IF 11.3

Rapid and Efficient Removal of Ultrashort- and Short-Chain PFAS from Contaminated Water by Pyrogenic Carbons: A Strategy via Polypyrrole Nanostructured Coating

Hao Yu,Peng Zhang,Dongbao Song,Hao Chen,Peng Huang,Srđan D. Rončević,Hongwen Sun

The global concern of per- and polyfluoroalkyl substance (PFAS) contamination has gradually shifted from long- to ultrashort- and short-chain PFAS, but the widely used pyrogenic carbons (PCs) are almost ineffective at removing such hydrophilic pollutants. Herein, a polypyrrole (PPy) nanostructured coating strategy was proposed to modify PCs (PPy@P-BC) for rapid and efficient removal of ultrashort- and short-chain PFAS from water. Static batch tests revealed that the sorption rate constant and sorption capacity of PFAS (C2–C6) on PPy@P-BC are at least 38 times and 5 times greater than those on undecorated PCs and benchmark materials of granular activated carbon, respectively, and their sorption equilibrium time is within 300 s. The outstanding sorption performance of PPy@P-BC is maintained in dynamic column tests (>3120 bed volumes) and different types of real water contaminated by 36 PFAS, including 11 previously identified emerging PFAS (removal >95.3%). PPy@P-BC also exhibited excellent regeneration and reusability. The following dual-drive mechanisms for PFAS removal were identified based on experimental results and density functional theory (DFT) calculations: (i) electrostatic attraction between amino functional groups (especially −NH•+−) on the nanostructured PPy coating and anionic PFAS and (ii) pore filling facilitated by the well-preserved porous structure via construction of the nanostructured coating. Overall, these results provide a promising solution to address the ultrashort- and short-chain PFAS crisis.

研究领域: 环境科学 · 水处理技术 · 纳米技术 · 吸附过程 · 化学工程 · 材料科学 · 污染控制 · 环境化学
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Fabrication of Fe-based biomass aerogel with microwave assistance and its properties in the removal of tetracycline from wastewater

Guohua Du,Yu Yang,Long Tian,Xinyu Chen,Yuchen Zhang,Jingjing Zhao,Feiyang Luo,Shaoyun Shan,Tianding Hu,Yunfei He

The adsorption of tetracycline wastewater has garnered significant attention owing to its potential threats to human health and the ecological environment during excessive flooding. In this study, a novel Fe-based biomass aerogel (FGA) was synthesized using a microwave-assisted method for efficient tetracycline (TC) adsorption. FGA exhibited exceptional stability, wide adaptability, and excellent recyclability while demonstrated extremely high adsorption (up to 1366 mg·g −1 ) for TC at room temperature. The synthesized FGA was experimentally characterized through morphological observation and determination of chemical composition. The effects of different pH levels, initial concentration of TC, adsorption dosage, and coexisting inorganic ions on the adsorption performance of TC adsorption in experimental studies. The adsorption process of TC onto the FGA was heat-absorbing and spontaneous, aligning with the proposed pseudo-second-order kinetic model and Freundlich isothermal model. Electrostatic interaction, hydrogen bonding interaction, complexation and pore filling were identified as involved mechanisms during the adsorption process based on both characterization results and adsorption experiments.

研究领域: 环境科学 · 材料科学 · 化学工程
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