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Modeling of coal swelling induced by water vapor adsorption

Zhejun PAN

《化学科学与工程前沿（英文）》 2012年 第6卷 第1期   页码 94-103 doi: 10.1007/s11705-011-1172-2

摘要： Gas adsorption-induced coal swelling is a well-know phenomenon. Coal swelling or shrinkage by adsorption or desorption of water vapor has not been well understood but has significant implications on gas drainage process for underground coal mining and for primary and enhanced coalbed methane production. Decreased matrix moisture content leads to coal shrinkage and thus the change of cleat porosity and permeability under reservoir conditions. Unlike gas adsorption in coal which usually forms a single layer of adsorbed molecules, water vapor adsorption in the coal micropores forms multilayer of adsorbed molecules. In this work, a model has been developed to describe the coal swelling strain with respect to the amount of moisture intake by the coal matrix. The model extended an energy balance approach for gas adsorption-induced coal swelling to water vapor adsorption-induced coal swelling, assuming that only the first layer of adsorbed molecules of the multilayer adsorption changes the surface energy, which thus causes coal to swell. The model is applied to describe the experimental swelling strain data measured on an Australian coal. The results show good agreement between the model and the experimental data.

关键词： multilayer adsorption     vapour pressure     coal shrinkage     relative humidity     permeability    

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Underlying mechanism of the hydrothermal instability of Cu

Nadeen Al-Janabi,Abdullatif Alfutimie,Flor R. Siperstein,Xiaolei Fan

《化学科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 103-107 doi: 10.1007/s11705-015-1552-0

摘要： Water induced decomposition of Cu (BTC) (BTC= benzene-1,3,5-tricarboxylate) metal-organic framework (MOF) was studied using dynamic water vapour adsorption. Small-angle X-ray scattering, Fourier transform infrared spectroscopy and differential scanning calorimetry analyses revealed that the underlying mechanism of Cu (BTC) MOF decomposition under humid streams is the interpenetration of water molecules into Cu-BTC coordination to displace organic linkers (BTC) from Cu centres.

关键词： hydrothermal stability     metal-organic framework (MOF)     open metal sites (OMSs)     dynamic water vapour adsorption    

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Experimental research on dynamic operating characteristics of a novel silica gel-water adsorption chiller

WANG Dechang, WU Jingyi, WANG Ruzhu, DOU Weidong

《能源前沿（英文）》 2007年 第1卷 第3期   页码 347-351 doi: 10.1007/s11708-007-0052-4

摘要： A novel silica gel-water adsorption chiller consisting of two adsorption/desorption chambers and an evaporator with one heat-pipe working chamber is experimentally studied. The dynamic operating characteristics of the chiller and the thermodynamic characteristics of the adsorber are obtained. The experimental results show that the dynamic operating characteristics of the chiller and the thermodynamic characteristics of the adsorber are satisfactory and that the cycle is a novel and effective adsorption cycle. A mass recovery process increases the cyclic adsorption capacity of the system and improves adaptability of the chiller to a low-grade heat source. In addition, the experiment indicates that this novel chiller is highly suitable for an air conditioning system with a low dehumidification requirement or a system with a large cycle flowrate and an industrial cooling water system.

关键词： satisfactory     suitable     recovery     adsorption capacity     thermodynamic    

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海水西调与我国沙漠和沙尘暴的根治

陈昌礼

《中国工程科学》 2001年 第3卷 第10期   页码 13-21

摘要：

提出内陆盆地增加降水量的三项必要和充分条件，即西风带、高山山脉冷凝作用和广大湿地提供水 气源。提出海水西调工程，从渤海西北海岸提水到大兴安岭南端，经内蒙古北部到达新疆，目的是恢复和扩大 西北湿地，治理沙漠和沙尘暴。工程将产生十大经济和生态效益，其中4条效益是不可替代的。

关键词： 海水西调     沙尘暴     湿地     水气交换系统    

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Fluoride ions adsorption from water by CaCO enhanced Mn–Fe mixed metal oxides

《化学科学与工程前沿（英文）》 2023年 第17卷 第2期   页码 236-248 doi: 10.1007/s11705-022-2193-8

摘要： Novel CaCO3-enhanced Mn–Fe mixed metal oxides (CMFC) were successfully prepared for the first time by a simple-green hydrothermal strategy without any surfactant or template combined with calcination process. These oxides were then employed as an adsorbent for adsorptive removal of excess fluoride ions. The adsorbent was characterized by SEM, XPS, XRD, FTIR, and BET analysis techniques. The adsorption property of CMFC toward fluoride ion was analyzed by batch experiments. In fact, CMFC exhibited adsorption capacity of 227.3 mg∙g‒1 toward fluoride ion. Results showed that ion exchange, electrostatic attraction and chemical adsorption were the main mechanism for the adhesion of large amount of fluoride ion on the CMFC surface, and the high adsorption capacity responded to the low pH of the adsorption system. When the fluoride ion concentration was increased from 20 to 200 mg∙L‒1, Langmuir model was more in line with experimental results. The change of fluoride ion adsorption with respect to time was accurately described by pseudo-second-order kinetics. After five cycles of use, the adsorbent still maintains a performance of 70.6% of efficiency, compared to the fresh adsorbent. Therefore, this material may act as a potential candidate for adsorbent with broad range of application prospects.

关键词： mesoporous materials     metal oxides     fluoride ion     adsorption mechanism    

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Resource utilization of typical biomass wastes as biochars in removing plasticizer diethyl phthalate from water: characterization and adsorption mechanisms

《环境科学与工程前沿（英文）》 2023年 第17卷 第1期 doi: 10.1007/s11783-023-1605-4

摘要：

● Six largely produced agricultural biomass wastes were pyrolyzed into biochars.

关键词： Plastic pollution     Phthalic acid esters     Designed biochar     Wetland plant     Adsorption    

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Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

《化学科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 250-256 doi: 10.1007/s11705-009-0281-7

摘要： Two kinds of heavy oils were fractionated into eight fractions by Liquid-Solid Adsorption Chromatography, respectively, and samples were collected to measure properties. According to the elemental analysis, molecular weight and H-NMR data, average molecular structures of polycyclic aromatic and heavy resin were constructed with improved Brown-Ladner (B-L) method and several corrections. And then, the most stable conformations of polycyclic aromatic and heavy resin in vacuum and toluene solution were obtained by molecular dynamic simulation, and the molecular size was gotten via the radius of gyration analysis. The results showed that the radius of gyration of polycyclic aromatic and heavy resin was 0.55–0.70 nm in vacuum and 0.60–0.90 nm in toluene solution. With molecular weight increasing, the molecular size in vacuum and toluene solution also increased. Due to the swelling behavior of solvent, the alkyl side chains of heavy oil molecule in solution were more stretched. Thus, the molecular size in toluene solution was larger than that in vacuum.

关键词： dynamic simulation     molecular dynamic     behavior     molecule     Adsorption Chromatography    

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Adsorption in combination with ozonation for the treatment of textile waste water: a critical review

Shraddha Khamparia,Dipika Kaur Jaspal

《环境科学与工程前沿（英文）》 2017年 第11卷 第1期 doi: 10.1007/s11783-017-0899-5

摘要： A combination of adsorption with ozonation proved best for dye removal. Toxicity of the textile effluents can be remarkably reduced by combined method. Wide scope for choice of natural materials for treatment of textile dyes. Intrusion of synthetic textile dyes in the ecosystem has been recognized as a serious issue worldwide. The effluents generated from textiles contain large amount of recalcitrant unfixed dyes which are regarded as emerging contaminants in the field of waste water study. Removal of various toxic dyes often includes diverse and complex set of physico-chemical, biological and advanced oxidation processes adopted for treatment. Adsorption in itself is a well-known technique utilized for treatment of textile effluents using a variety of adsorbents. In addition, ozonation deals with effective removal of dyes using high oxidising power of ozone. The review summarizes dye removal study by a combination of ozonation and adsorption methods. Also, to acquire an effective interpretation of this combined approach of treating wastewater, a thorough study has been made which is deliberated here. Results asserts that, with the combined ability of ozone and a catalyst/adsorbent, there is high possibility of total elimination of dyes from waste water. Several synthetically prepared materials have been used along with few natural materials during the combined treatment. However, considering practical applicability, some areas were identified during the study where work needs to be done for effective implementation of the combined treatment.

关键词： Adsorption     Ozonation     Catalytic Ozonation     Textile dyes     Mineralization    

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of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic

《化学科学与工程前沿（英文）》 2022年 第16卷 第7期   页码 1149-1163 doi: 10.1007/s11705-021-2096-0

摘要： The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multiphysics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10−4 mol·m–3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

关键词： carbon dioxide photoreduction     computational fluid dynamic simulation     kinetic model     Langmuir adsorption    

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Performance and mechanism for cadmium and lead adsorption from water and soil by corn straw biochar

Tong Chi,Jiane Zuo,Fenglin Liu

《环境科学与工程前沿（英文）》 2017年 第11卷 第2期 doi: 10.1007/s11783-017-0921-y

摘要： Corn straw biochar prepared under 400 °C was the best Cd and Pb adsorption capacity Maximum adsorption capacity of Cd and Pb were 43.48 and 22.73 mg·g , respectively The dominant mechanism of Cd and Pb adsorption was precipitation Biochar could reduce the bioavailability of heavy metals when mixed with soil Cadmium (Cd) and lead (Pb) in water and soil could be adsorbed by biochar produced from corn straw. Biochar pyrolyzed under 400°C for 2 h could reach the ideal removal efficiencies (99.24% and 98.62% for Cd and Pb, respectively) from water with the biochar dosage of 20 g·L and initial concentration of 20 mg·L . The pH value of 4–7 was the optimal range for adsorption reaction. The adsorption mechanism was discussed on the basis of a range of characterizations, including X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR) and Raman analysis; it was concluded as surface complexation with active sorption sites (-OH, -COO-), coordination with π electrons (C= C, C= O) and precipitation with inorganic anions (OH , CO , SO ) for both Cd and Pb. The sorption isotherms fit Langmuir model rather than Freundlich model, and the saturated sorption capacities for Cd and Pb were 38.91 mg·g and 28.99 mg·g , respectively. When mixed with soil, biochar could effectively increase alkalinity and reduce bioavailability of heavy metals. Thus, biochar derived from corn straw would be a green material for both removal of heavy metals and amelioration of soil.

关键词： Corn straw     Biochar     Heavy metals     Sorption isotherm     Bioavailability    

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Dynamic simulation of urban water metabolism under water environmental carrying capacity restrictions

Weihua ZENG,Bo WU,Ying CHAI

《环境科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 114-128 doi: 10.1007/s11783-014-0669-6

摘要： A revised concept for urban water metabolism (UWM) is presented in this study to address the inadequacies in current research on UWM and the problems associated with the traditional urban water metabolic process. Feedback loops can be analyzed to increase the water environmental carrying capacity (WECC) of the new urban water metabolism system (UWMS) over that of a traditional UWMS. An analysis of the feedback loops of an UWMS was used to construct a system dynamics (SD) model for the system under a WECC restriction. Water metabolic processes were simulated for different scenarios using the Tongzhou District in Beijing as an example. The results for the newly developed UWM case showed that a water environment of Tongzhou District could support a population of 1.1926 × 10 , an irrigation area of 375.521 km , a livestock of 0.7732 × 10 , and an industrial value added of ¥193.14 × 10 (i.e. about US$28.285× 10 ) in 2020. A sensitivity analysis showed that the WECC could be improved to some extent by constructing new sewage treatment facilities or by expanding the current sewage treatment facilities, using reclaimed water and improving the water circulation system.

关键词： urban water metabolism system (UWMS)     system dynamic simulation     water environmental carrying capacity (WECC)     feedback loops     bilateral control    

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Easily-manufactured paper-based materials with high porosity for adsorption/separation applications in

《化学科学与工程前沿（英文）》 2023年 第17卷 第7期   页码 830-839 doi: 10.1007/s11705-022-2267-7

摘要： A multi-functional porous paper-based material was prepared from grass pulp by simple pore-forming and green cross-linking method. As a pore-forming agent, calcium citrate increased the porosity of the paper-based material from 30% to 69% while retaining the mechanical strength. The covalent cross-linking of citric acid between cellulose fibers improved both the wet strength and adsorption capacity. In addition, owing to the introduction of high-content carboxyl groups as well as the construction of hierarchical micro-nano structure, the underwater oil contact angle was up to 165°. The separation efficiency of the emulsified oil was 99.3%, and the water flux was up to 2020 L·m–2·h–1. The theoretical maximum adsorption capacities of cadmium ion, lead ion and methylene blue reached 136, 229 and 128.9 mg·g–1, respectively. The continuous purification of complex wastewater can be achieved by using paper-based materials combined with filtration technology. This work provides a simple, low cost and environmental approach for the treatment of complex wastewater containing insoluble oil, organic dyes, and heavy metal ions.

关键词： adsorption     oil–water separation     underwater superoleophobicity     wastewater treatment    

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The influence of chlorinated aromatics' structure on their adsorption characteristics on activated carbonto tackle chemical spills in drinking water source

Pengfei LIN,Yuan ZHANG,Xiaojian ZHANG,Chao CHEN,Yuefeng XIE,Irwin H SUFFET

《环境科学与工程前沿（英文）》 2015年 第9卷 第1期   页码 138-146 doi: 10.1007/s11783-014-0725-2

摘要： This study focused on evaluating the efficiency of powdered activated carbon (PAC) adsorption process and tackling chlorobenzenes and chlorophenols spill in drinking water source. The adsorption kinetics and PAC’s capacities for five chlorobenzenes and three chlorophenols at drinking water contamination levels were studied in order to determine the influence of different functional groups on the adsorption behavior. The results showed that PAC adsorption could be used as an effective emergency drinking water treatment process to remove these compounds. The adsorption kinetics took 30 min to achieve nearly equilibrium and could be described by both pseudo first-order and pseudo second-order models. A mathematic relationship was developed between the pseudo first-order adsorption rate constant, k , and the solutes’ properties including lg , polarizability and molecular weight. The Freundlich isotherm equation could well describe the adsorption equilibrium behaviors of chlorinated aromatics with from 0.920 to 0.999. The H-bond donor/acceptor group, hydrophobicity, solubility and molecular volume were identified as important solute properties that affect the PAC adsorption capacity. These results could assist water professionals in removing chlorinated aromatics during emergency drinking water treatment.

关键词： chlorinated aromatics     adsorption     powdered activated carbon     kinetics     equilibrium    

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Beta-cyclodextrin adsorbents to remove water pollutants—a commentary

《化学科学与工程前沿（英文）》 2022年 第16卷 第9期   页码 1407-1423 doi: 10.1007/s11705-022-2146-2

摘要： Beta-cyclodextrin-based adsorbent is a promising adsorbent because it has unique characteristics and able to form host-guest complexes with various organic compounds. Adsorption using beta-cyclodextrin-based adsorbent has continuously improved by various preparation strategies and crosslinking agents. This commentary aims to highlight the preparation strategies, properties, and adsorption mechanisms of beta-cyclodextrin-based adsorbents. The adsorbents can be generally classified according to the preparation methods and display high adsorption capacity especially for dyes. Particularly, composite/nanocomposite beta-cyclodextrin-based adsorbents exhibit outstanding adsorption capacity even though the surface area is lower than that of porous and magnetic beta-cyclodextrin-based adsorbents. The beta-cyclodextrin/chitosan functionalized graphene oxide hydrogel with specific surface of 17.6 m2·g–1 yields an extraordinarily maximum adsorption capacity of 1499 mg·g–1 methylene blue, while beta-cyclodextrin/chitosan modified with iron(II, III) oxide nanoparticles displays a much greater maximum adsorption capacity at 2780 mg·g–1. The hydrophobic interaction, functional groups, hydrogen bonding, and electrostatic interaction govern the adsorption to a greater capacity. Although this commentary is not exhaustive, the preparation strategies and illustrated mechanisms provide useful insights into the adsorbent–adsorbate interactions, cost-effective analysis, challenges, and future directions of beta-cyclodextrin-based adsorbents in wastewater treatment.

关键词： beta-cyclodextrin adsorbent     adsorption     inclusion complex     mechanism     water pollutant     wastewater treatment    

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Comparing the adsorption behaviors of Cd, Cu and Pb from water onto Fe-Mn binary oxide, MnO

Wei XU,Huachun LAN,Hongjie WANG,Hongming LIU,Jiuhui QU

《环境科学与工程前沿（英文）》 2015年 第9卷 第3期   页码 385-393 doi: 10.1007/s11783-014-0648-y

摘要： The adsorption potential of FMBO, FeOOH, MnO for the removal of Cd , Cu and Pb in aqueous systems was investigated in this study. Comparing to FMBO and FeOOH, MnO offered a much higher removal capacity towards the three metal ions. The maximal adsorption capacity of MnO for Cd , Cu and Pb were 1.23, 2.25 and 2.60 mmol·g , respectively. And that for FMBO were 0.37, 1.13, and 1.18 mmol·g and for FeOOH were 0.11, 0.86 and 0.48 mmol·g , respectively. The adsorption behaviors of the three metal ions on the three adsorbents were all significantly affected by pH values and heavy metal removal efficiency increased with pH increased. The Langmuir and Freundlich adsorption models were used to describe the adsorption equilibrium of the three metal ions onto the three adsorbents. Results showed that the adsorption equilibrium data fitted well to Langmuir isotherm and this indicated that adsorption of metal ions occurred on the three metal oxides adsorbents limited to the formation of a monolayer. More negative charged of MnO surface than that of FMBO and FeOOH could be ascribed by lower pH of MnO than that of FMBO and FeOOH and this could contribute to more binding sites on MnO surface than that of FMBO and FeOOH. The higher metal ions uptake by MnO than FMBO and FeOOH could be well explained by the surface charge mechanism.

关键词： heavy metals     Fe-Mn binary oxide     manganese dioxide     ferric hydroxide     adsorption    

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标题 作者 时间 类型 操作

Modeling of coal swelling induced by water vapor adsorption

Zhejun PAN

期刊论文

Underlying mechanism of the hydrothermal instability of Cu

Nadeen Al-Janabi,Abdullatif Alfutimie,Flor R. Siperstein,Xiaolei Fan

期刊论文

Experimental research on dynamic operating characteristics of a novel silica gel-water adsorption chiller

WANG Dechang, WU Jingyi, WANG Ruzhu, DOU Weidong

期刊论文

海水西调与我国沙漠和沙尘暴的根治

陈昌礼

期刊论文

Fluoride ions adsorption from water by CaCO enhanced Mn–Fe mixed metal oxides

期刊论文

Resource utilization of typical biomass wastes as biochars in removing plasticizer diethyl phthalate from water: characterization and adsorption mechanisms

期刊论文

Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

期刊论文

Adsorption in combination with ozonation for the treatment of textile waste water: a critical review

Shraddha Khamparia,Dipika Kaur Jaspal

期刊论文

of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic

期刊论文

Performance and mechanism for cadmium and lead adsorption from water and soil by corn straw biochar

Tong Chi,Jiane Zuo,Fenglin Liu

期刊论文

Dynamic simulation of urban water metabolism under water environmental carrying capacity restrictions

Weihua ZENG,Bo WU,Ying CHAI

期刊论文

Easily-manufactured paper-based materials with high porosity for adsorption/separation applications in

期刊论文

The influence of chlorinated aromatics' structure on their adsorption characteristics on activated carbonto tackle chemical spills in drinking water source

Pengfei LIN,Yuan ZHANG,Xiaojian ZHANG,Chao CHEN,Yuefeng XIE,Irwin H SUFFET

期刊论文

Beta-cyclodextrin adsorbents to remove water pollutants—a commentary

期刊论文

Comparing the adsorption behaviors of Cd, Cu and Pb from water onto Fe-Mn binary oxide, MnO

Wei XU,Huachun LAN,Hongjie WANG,Hongming LIU,Jiuhui QU

期刊论文