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Leaching behavior of Pb and Zn in air pollution control residues and their modeling prediction 被引量:6
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作者 ZHANG Hua HE Pin-jing SHAO Li-ming FENG Jun-hui CAO Qun-ke 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2006年第3期583-586,共4页
Increasing attention has been paid to air pollution control (APC) resi dues in China recently due to the rising proportion of waste incineration and th e hazardous characteristics of the residues, among which heavy me... Increasing attention has been paid to air pollution control (APC) resi dues in China recently due to the rising proportion of waste incineration and th e hazardous characteristics of the residues, among which heavy metal leaching to xicity plays an important role. Leaching behavior and potential risk of Pb and Z n in the APC residues from a Shanghai municipal solid waste (MSW) incinerator wa s studied, based on the leaching tests under different conditions and theoretica l calculation using a geochemical thermodynamic equilibrium model MINTEQA2. Res ults showed that, extractant species and liquid to solid (L/S) ratio predomina ntly controlled the leaching toxicity of Pb and Zn, while ionic strength, vibr ation method and leaching time had less effect on the metals release. Leachate/f inal pH determined the metal leaching behavior, which changed the speciation of heavy metals in the extraction system. The equilibrium aqueous speciation, preci pitation-dissolution of Pb and Zn was investigated according to the model comput ation, which was well in agreement with the experimental results. 展开更多
关键词 大气污染 淋洗作用 重金属 残留物
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Study on Management and Control of Nonpoint Source Pollution from Urban Surface Runoff 被引量:2
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作者 Chen Keliang Zhu Xiaodong Wang Xianghua Ma Yan 《Chinese Journal of Population,Resources and Environment》 北大核心 2007年第1期39-44,共6页
Urbanization is the dominant form of land-use change in terms of impacts on water quality, hydrology, physical proper- ties of watersheds and their nonpoint source (NPS) pollution po- tential at present. Urbanization ... Urbanization is the dominant form of land-use change in terms of impacts on water quality, hydrology, physical proper- ties of watersheds and their nonpoint source (NPS) pollution po- tential at present. Urbanization has changed the source, process and sink of urban NPS pollution, especially raised the pollution load of urban runoff NPS in receiving water. Urban runoff pollu- tion is a hot spot of research on NPS. This paper analyzed type, source and harm of the NPS pollutants of urban runoff and its influence on the receiving water. Through estimating NPS pollu- tion load of urban runoff and summarizing the law and character- istics of urban runoff NPS systemically, study on management and control of urban runoff NPS pollution was focused on the applica- tion of BMPs (best management practices). It is a fresh method- ology that management and control on NPS pollution from urban surface runoff was analyzed by methods of landscape ecology, environmental economics and environmental management. The paper provided a scientific reference for mitigating urban water environment pressure and an effective method for management and control of NPS pollution from urban surface runoff.. 展开更多
关键词 城市表面径流 管理 控制 非点源污染
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Water Scarcity in Conakry, Guinea: Challenges and Proposed Strategies for a Way Forward
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作者 Bernard Lassimo Diawara Gerald D. S. Quoie Jr +1 位作者 Zhuo Li Justin Junior Loua 《Journal of Water Resource and Protection》 CAS 2024年第4期264-280,共17页
The capital of Guinea, Conakry, faces a notable difficulty due to a water shortage, which is worsened by the rapid increase in population and urban development. The Guinean Water Company (SEG) faces challenges in supp... The capital of Guinea, Conakry, faces a notable difficulty due to a water shortage, which is worsened by the rapid increase in population and urban development. The Guinean Water Company (SEG) faces challenges in supplying water to the entire city due to its limited area of approximately 420 km<sup>2</sup> and a population of 2 million. Moreover, the population growth rate is anticipated to increase dramatically, exacerbating the difficulty of fulfilling future water requirements. As a result, this study employs data from the Knoema website and the Institute of National Statistics of Guinea (INS) to examine the water production and distribution process by the SEG. The study examines the challenges related to water scarcity in Conakry and suggests strategies to assist the city in managing the present circumstances and planning for the future. The primary objective is to get a long-lasting water supply and uphold water quality to advance public health. 展开更多
关键词 Water Scarcity Conakry Population Growth SDGs SEG
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Current Situation Analysis and Suggestions for Solid Waste Management Practices among Households in Freetown
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作者 Patrick Fayia Kanty Mohamed Yateh Yongji Zhang 《Journal of Geoscience and Environment Protection》 2024年第3期95-109,共15页
Freetown which is the capital city of Sierra Leone is facing challenges with population growth, urbanization, and industrialization, leading to an increase in municipal solid waste (MSW) generation. The study aims to ... Freetown which is the capital city of Sierra Leone is facing challenges with population growth, urbanization, and industrialization, leading to an increase in municipal solid waste (MSW) generation. The study aims to evaluate MSW generation, composition, and disposal methods, as well as the impact of collection fees, policy implementation, and women’s participation in municipal solid waste management (MSWM). The study used both qualitative and quantitative methods for data collection and analysis. The study administered 393 structured questionnaires in three selected sections to collect data on variables such as family size, education, level of knowledge, etc. The study used door-to-door data collection to determine the rate of solid waste generation, composition, and disposal in 66 households from two of the selected sections and 34 households from the other section to evaluate the current situation of MSWM practices among households in Freetown. The study used a descriptive statistic to analyze the data collected using Origin-Pro9 and MS Excel software. The findings showed that with a 4.2% urban growth rate, Freetown had a population of 1,467,543 in 2023, generating 851 tons of MSW per day, with organic waste accounting for 78% of the total MSW generated. Plastic waste generation also increased from 7.6% in 2020 to 13% in 2023. The study emphasizes the need to sustain the MSWM system by prioritizing solid waste collection fees, policy enforcement, and women’s participation in the MSWM sector. It further suggests and provides recommendations for developing an efficient and sustainable MSWM system in Sierra Leone, including knowledge transfer from countries like China and the US. 展开更多
关键词 Freetown Municipal Solid Waste Management Waste Composition Waste Disposal Waste Generation
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Advancements in Catalysts for Electrochemical Nitrate Reduction: A Sustainable Approach for Mitigating Nitrate Pollution: A Review
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作者 Gerald D. S. Quoie Jr. Jean Pierre Bavumiragira Varney Kromah 《Modern Research in Catalysis》 2024年第1期1-28,共28页
Nitrate pollution is of great importance in both the environmental and health contexts, necessitating the development of efficient mitigation strategies. This review provides a comprehensive analysis of the many catal... Nitrate pollution is of great importance in both the environmental and health contexts, necessitating the development of efficient mitigation strategies. This review provides a comprehensive analysis of the many catalysts employed in the electrochemical reduction of nitrate to ammonia, and presents a viable environmentally friendly approach to address the issue of nitrate pollution. Hence, the electrochemical transformation of nitrate to ammonia serves the dual purpose of addressing nitrate pollution in water bodies, and is a useful agricultural resource. This review examines a range of catalyst materials such as noble and non-noble metals, metal oxides, carbon-based materials, nitrogen-doped carbon species, metal complexes, and semiconductor photocatalysts. It evaluates catalytic efficiency, selectivity, stability, and overall process optimization. The performance of catalysts is influenced by various factors, including reaction conditions, catalyst structure, loading techniques, and electrode interfaces. Comparative analysis was performed to evaluate the catalytic activity, selectivity, Faradaic efficiency, current density, stability, and durability of the catalysts. This assessment offers significant perspectives on the structural, compositional, and electrochemical characteristics that affect the efficacy of these catalysts, thus informing future investigations and advancements in this domain. In addition to mitigating nitrate pollution, the electrochemical reduction of nitrate to ammonia is in line with sustainable agricultural methods, resource conservation, and the utilization of renewable energy resources. This study explores the factors that affect the catalytic efficiency, provides new opportunities to address nitrate pollution, and promotes the development of sustainable environmental solutions. 展开更多
关键词 Nitrate Pollution Electrochemical Reduction AMMONIA Sustainable Farming CATALYSTS
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Effects of ultrasonic pretreatment on sludge dewaterability and extracellular polymeric substances distribution in mesophilic anaerobic digestion 被引量:29
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作者 Liming Shao Guanzhao Wang +2 位作者 Huacheng Xu Guanghui Yu Pinjing He 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2010年第3期474-480,共7页
Effect of ultrasonic pretreatment on sludge dewaterability was determined and the fate of extracellular polymeric substances (EPS) matrix in mesophilic anaerobic digestion after ultrasonic pretreatment was studied. Ch... Effect of ultrasonic pretreatment on sludge dewaterability was determined and the fate of extracellular polymeric substances (EPS) matrix in mesophilic anaerobic digestion after ultrasonic pretreatment was studied. Characteristics of proteins (PN), polysaccharides (PS), excitation-emission matrix (EEM) fluorescence spectroscopy and molecular weight (MW) distribution of dissolved organic matters (DOM) in different EPS fractions were evaluated. The results showed that after ultrasonic pretreatment, the normalized capillary suction time (CST) decreased from 44.4 to 11.1 (sec·L)/g total suspended solids (TSS) during anaerobic digestion, indicating that sludge dewaterability was greatly improved. The normalized CST was significantly correlated with PN concentration (R2 = 0.92, p < 0.01) and the PN/PS ratio (R2 = 0.84, p < 0.01) in the loosely bound EPS (LB-EPS) fraction. Meanwhile, the average MW of DOM in the LB- EPS and tightly bound EPS (TB-EPS) fractions also had a good correlation with the normalized CST (R2 > 0.66, p < 0.01). According to EEM fluorescence spectroscopy, tryptophan-like substances intensities in the slime, LB-EPS and TB-EPS fractions were correlated with the normalized CST. The organic matters in the EPS matrix played an important role in influencing sludge dewaterability. 展开更多
关键词 超声波预处理 中温厌氧消化 高分子物质 污泥脱水 标准化技术委员会 溶解有机质 每股收益 作者
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Changes of Cu, Zn, and Ni chemical speciation in sewage sludge co-composted with sodium sulfide and lime 被引量:17
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作者 WANG Xuejiang CHEN Ling XIA Siqing ZHAO Jianfu 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2008年第2期156-160,共5页
批 composting 研究被执行与钠硫化物和石灰(SSL ) 混合(Na2S/CaO=1:1 ) 评估堆肥 co 污水污泥的可行性,瞄准减少在污泥堆肥的重金属的可获得性。有 bulking 在 3% 点与 SSL 被修改的锯屑的污水污泥(w/w, dw ) ,并且为在实验室批反... 批 composting 研究被执行与钠硫化物和石灰(SSL ) 混合(Na2S/CaO=1:1 ) 评估堆肥 co 污水污泥的可行性,瞄准减少在污泥堆肥的重金属的可获得性。有 bulking 在 3% 点与 SSL 被修改的锯屑的污水污泥(w/w, dw ) ,并且为在实验室批反应堆的 15 d 的 composted。Tessier 顺序的抽出法的四个阶段被采用与 SSL 在污水污泥 composted 在 Cu, Zn,和 Ni 的重金属部分调查变化。为所有三金属,活动部分,例如,可交换并且绑的碳酸盐主要被转变成低可获得性部分(有机物和硫化物, Fe-Mn 氧化物界限和剩余形式) ,并且 SSL 的增加提高了这转变。因此, SSL 是到有污水污泥的合作堆肥的合适的材料减少重金属的可获得性。根据卷心菜种子发芽试验,≤ 3 % 的一个 SSL 修正案(w/w, dw ) 与污水污泥被推荐到合作堆肥。 展开更多
关键词 污水处理 淤泥 复合堆肥 重金属 硫化钠 石灰
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Biosorption of cadmium(II) and lead(II) ions from aqueous solutions onto dried activated sludge 被引量:16
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作者 WANG Xue-jiang XIA Si-qing +3 位作者 CHEN Ling ZHAO Jian-fu CHOVELON Jean-marc NICOLE Jaffrezic-renault 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2006年第5期840-844,共5页
The removal of heavy-metal ions from aqueous solutions by using dried activated sludge has been investigated in batch systems. Effect of solution pH, initial metal ion concentration, and temperature were determined. T... The removal of heavy-metal ions from aqueous solutions by using dried activated sludge has been investigated in batch systems. Effect of solution pH, initial metal ion concentration, and temperature were determined. The results of the kinetic studies showed that the uptake processes of the two metal ions(Cd(II) and Pb(II)) followed the pseudo-second-order rate expression. The equi- librium data fitted very well to both the Langmuir and Freundlich adsorption models. The FT-IR analysis showed that the main mechanism of Cd(II) and Pb(II) biosorption onto dried activated sludge was their binding with amide I group. 展开更多
关键词 生物吸着 吸附作用 淤泥 金属化合物
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Three-stage aged refuse biofilter for the treatment of landfill leachate 被引量:11
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作者 LI Hongjiang ZHAO Youcai +1 位作者 SHI Lei GU Yingying 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2009年第1期70-75,共6页
A field-scale aged refuse(AR) biofilter constructed in Shanghai Refuse Landfill,containing about 7000 m3 aged refuse inside,was evaluated for its performance in the treatment of landfill leachate. This AR biofilter ca... A field-scale aged refuse(AR) biofilter constructed in Shanghai Refuse Landfill,containing about 7000 m3 aged refuse inside,was evaluated for its performance in the treatment of landfill leachate. This AR biofilter can be divided into three stages and can manage 50 m3 landfill leachate per day. The physical,chemical,and biological characteristics of AR were analyzed for evaluating the AR biofilter as leachate treatment host. The results revealed that over 87.8%-96.2% of COD and 96.9%-99.4% of ammonia nitrogen were removed by the three-stage AR biofilter when the influent leachate COD and ammonia nitrogen concentration were in the range 5478-10842 mg/L and 811-1582 mg/L,respectively. The final effiuent was inodorous and pale yellow with COD and ammonia nitrogen below 267-1020 mg/L and 6-45 mg/L,respectively. The three-stage AR biofilter had effcient nitrification but relative poor denitrification capacity with a total nitrogen(TN) removal of 58%-73%. The external temperature of AR biofilter did not influence the total ammonia nitrogen removal significantly. It was concluded that the scale-up AR biofilter can work very well and can be a promising technology for the treatment of landfill leachate. 展开更多
关键词 垃圾处理 垃圾掩埋 渗出液 生物过滤器 氨氮
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Semivolatile organic compounds, organochlorine pesticides and heavy metals in sediments and risk assessment in Huaihe River of China 被引量:9
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作者 HUANG Hong OU Wen-hua WANG Lian-sheng 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2006年第2期236-241,共6页
The concentrations of semivolatile organic compounds, organochlorine p esticides and heavy metals in sediments from Jiangsu reach of Huaihe River, Chin a, were presented. The organic compounds were extracted by aceton... The concentrations of semivolatile organic compounds, organochlorine p esticides and heavy metals in sediments from Jiangsu reach of Huaihe River, Chin a, were presented. The organic compounds were extracted by acetone: n-hexane usi ng a Soxhlet apparatus and concentrations were performed using HP6890 gas chroma tography coupled by FID and ECD detector. The total contents of 8 heavy metals b y inductively coupled plasma atomic emission spectrometry or cold-vapor/atomic a bsorption spectrometry were developed. 30 semivolatile organic compounds were de tected, including substituted benzenes, phenols, phthalates and polycyclic aroma tic hydrocarbons, from 0.01 to 3.01 mg/kg. 16 organochlorine pesticides were alm ost detected and from 0.010 to 2.339 ?滋g/kg. Concentrations of major metals wer e 50 mg/kg or less, mean level of mercury was only 0.055 mg/kg. Compared to sedi ment quality guidelines(SQGs), concentrations of some semivolatile organic compo unds were high enough to cause possible toxic effects to living resources. The o rganochlorine pesticides presented relatively low, lower than threshold effect c oncentrations(TECs), harmful effects on sediment-dwelling organisms were not exp ected. Chromium posed probable toxic effects to the living resources, other heav y metals had no threat temporarily according to SQGs. 展开更多
关键词 沉积物 挥发性 有机化合物 重金属 淮河 水体污染
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Isolates identification and characteristics of microorganisms in biotrickling filter and biofilter system treating H_2S and NH_3 被引量:7
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作者 YU Guang-hui XU Xiao-jun HE Pin-jing 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2007年第7期859-863,共5页
A combination system of biotrickling filter (BTF) and biofilter (BF), adopting surfactant-modified clinoptilolite and surfactant-modified wood chip as the media respectively, was applied to treat H2S and NH3 simultane... A combination system of biotrickling filter (BTF) and biofilter (BF), adopting surfactant-modified clinoptilolite and surfactant-modified wood chip as the media respectively, was applied to treat H2S and NH3 simultaneously. The identification and sole carbon sources utilization patterns of isolates in the combination system were studied by Biolog system. The isolates were identified as Bacillus sphaericus, Geobacillus themoglucosidasius (55°C) and Micrococcus luteus (ATCC 9341) in BTF, and Aspergillus sydowii (Bainier & Sartory) Thom & Church in BF. Among 95 substrate classes supplied by Biolog system, the carboxylic acids and methyl esters had the highest utilization extent for the four species, followed by the amino acids and peptides. The descending sequence of carbon sources utilization capability of isolates was A. sydowii (52.6%), M. luteus (39.5%), B. sphaericus (21.6%), and G. thermoglucosidasius (17.7%). 展开更多
关键词 土壤微生物 硫化氢 氨气 隔离种群 生物过滤器
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ADSORPTION OF CHLOROFORM AND TRICHLOROETHYLENE IN WATER WITH A NEW KIND OF HYPERCROSSLINKED RESINS 被引量:5
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作者 费正皓 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2004年第5期425-430,共6页
In this paper two newly developed hypercrosslinked resins were used to treat micropolluted drinking water and their static and kinetic adsorption were investigated at 293 K. The results show that these two adsorbents ... In this paper two newly developed hypercrosslinked resins were used to treat micropolluted drinking water and their static and kinetic adsorption were investigated at 293 K. The results show that these two adsorbents are superior to Amberlite XAD-4 for removing chloroform and trichloroethylene in aqueous solutions. The breakthrough capacity and the total capacities from mini-column adsorption studies for chloroform and trichloroethylene on XAD-4, ZH-01 and ZH-00 are calculated respectively under experimental 展开更多
关键词 氯仿 三氯乙烯 饮用水 吸附 微量污染 超交联树脂 活性炭
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Adsorption thermodynamics and kinetic investigation of aromatic amphoteric compounds onto different polymeric adsorbents 被引量:4
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作者 WANG Hal-ling FEI Zheng-hao +2 位作者 CHEN Jin-long ZHANG Quan-xing XU Yan-hua 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2007年第11期1298-1304,共7页
p-aminobenzoic 酸和到不同聚合吸附物上酸的 o-aminobenzoic 的吸附行为系统地作为答案集中和温度的功能被调查。试验性的结果显示四聚合吸附物的平衡吸附数据在 Freundlich 等温线适合很好。多功能的聚合吸附物 NJ-99 的吸附能力最高... p-aminobenzoic 酸和到不同聚合吸附物上酸的 o-aminobenzoic 的吸附行为系统地作为答案集中和温度的功能被调查。试验性的结果显示四聚合吸附物的平衡吸附数据在 Freundlich 等温线适合很好。多功能的聚合吸附物 NJ-99 的吸附能力最高,它可能在树脂和氨基的苯甲酸的 carboxyl 组上被归因于在氨基的组之间的强壮的结合氢的相互作用。到任何吸附物上酸的 o-aminobenzoic 的吸附能力比 p-aminobenzoic 酸高。热力学的研究建议了发热的、自发的物理吸附过程。吸附动力学结果证明吸附跟随了 pseudo-second-order 动力学模型和 intraparticle 团转移过程是控制率的步骤。 展开更多
关键词 芬芳化合物 聚合吸附剂 吸附作用 热力学 动力学
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Thermodynamic Properties and Relative Stability of Polyhydroxylated Dibenzo-p-dioxins Calculated by Density Functional Theory 被引量:3
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作者 戴勇 石佳奇 +1 位作者 郑清 王遵尧 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第3期354-361,共8页
In this work, partial thermodynamic properties of polyhydroxylated dibenzo-p-dioxins (PHODDs) are calculated by density functional theory (DFT) with the Gaussian 03 program at the B3LYP/6-311G** level. By comparing th... In this work, partial thermodynamic properties of polyhydroxylated dibenzo-p-dioxins (PHODDs) are calculated by density functional theory (DFT) with the Gaussian 03 program at the B3LYP/6-311G** level. By comparing the total energy Eθ values, it is found that two types of hydrogen bonds exist in PHODDs, one between a hydroxyl and the parent compound (dibenzop-dioxin) with bond energy of approximate 15.7 kJ/mol and the other between two ortho hydroxyl groups with higher bond energy of about 18.3 kJ/mol. Hydrogen bonds have an effect on the conformation stability. On the basis of evaluating the strength of these two types of hydrogen bonds, 75 most stable congeners are ascertained. The relations of calculated thermodynamic parameters (total energy Eθ, zero-point vibrational energy ZPE, correction value of thermal energy Ethθ, heat capacity at constant volume CVθ) with the number and position of hydroxyl substitution (NPHOS) are also discussed. The results show that the NPHOS models can be used to predict the thermodynamic properties for PHODD congeners. In addition, the values of molar heat capacities at constant pressure (Cp,m) from 200 to 1000 K for PHODD congeners are calculated, and the temperature dependence relation of Cp,m is obtained with the least-squares method. 展开更多
关键词 密度泛函理论 热力学性质 相对稳定性 数值计算 多羟基 二恶英 二苯并 摩尔热容量
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Studies of Thermodynamic Properties and Relative Stability of Polybrominated Xanthones by Density Functional Theory 被引量:3
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作者 单刚 李秀菊 +1 位作者 王遵尧 杨郭英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第2期225-232,共8页
The thermodynamic properties of xanthone(XTH) and 135 polybrominated xanthones(PBXTHs) in the standard state have been calculated at the B3LYP/6-31G* level using Gaussian 03 program.The isodesmic reactions were design... The thermodynamic properties of xanthone(XTH) and 135 polybrominated xanthones(PBXTHs) in the standard state have been calculated at the B3LYP/6-31G* level using Gaussian 03 program.The isodesmic reactions were designed to calculate the standard enthalpy of formation(△fHθ) and standard free energy of formation(△fGθ) of PBXTH congeners.The relations of these thermodynamic parameters with the number and position of Br atom substitution(NPBS) were discussed,and it was found that there exist high correlation between thermodynamic parameters(entropy(Sθ),△fHθ and △fGθ) and NPBS.According to the relative magnitude of their △fGθ,the relative stability order of PBXTH congeners was theoretically proposed.The relative rate constants of formation reactions of PBXTH congeners were calculated,Moreover,the values of molar heat capacity at constant pressure(Cp,m) from 200 to 1000 K for PBXTH congeners were also calculated,and the temperature dependence relation of them was obtained,suggesting very good relationships between Cp,m and temperature(T,T-1 and T-2) for almost all PBXTH congeners. 展开更多
关键词 相对稳定性 热力学性质 氧杂蒽酮 密度泛函理论 溴原子 标准生成自由能 热力学参数 反应速率常数
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2D-QSAR Using MLR and 3D-QSAR Using CoMSIA Studies on the Toxicity of Aromatic Hydrocarbons on Larval Sinonvaculina Constricta 被引量:3
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作者 王翠华 蒋玫 +3 位作者 李小林 沈新强 于红霞 邬旸 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第3期420-428,共9页
Aromatic hydrocarbons,one of the persistent organic pollutants(POPs),has been usually found in mussels,accumulated for their hard mobility and activities in harbours and estuaries.In this study,based on the 96 hr-LC50... Aromatic hydrocarbons,one of the persistent organic pollutants(POPs),has been usually found in mussels,accumulated for their hard mobility and activities in harbours and estuaries.In this study,based on the 96 hr-LC50 of 12 aromatic hydrocarbons with larval sinonvaculina constricta,three-dimensional quantitative structure-activity relationship(3D-QSAR) technique:comparative molecular similarity indices analysis(CoMSIA) and 2D-QSAR technique:multiple linear regression(MLR) were described to obtain more detailed insight into the structure-activity relationships between the molecular structure and bio-activity.The results show the MLR model based on density functional theory(DFT) calculation carried out at the B3LYP/6-311** level with Gaussian 03 program yielded a very good correlation with a coefficient squared R2 of 0.716 and a cross-validated Q2 of 0.874.The dipole moment and enthalpy,as the thermodynamic parameters,were two important factors influencing pLC50.Correspondingly,CoMSIA based on the partial least-squares(PLS) methodology with steric,electrostatic,hydrophobic,H-bond donor and acceptor fields contributing simultaneously were employed and the values of R2 and the cross validation with leave-One-Out(LOO) Q2LOO were 0.585 and 0.990,respectively,which reveals the structure features,such as the electronegative substituent(nitro-group),hydrophobic groups(the benzene ring) and H-bond(nitro-group),related to the toxicity.The results of 2D-QSAR employing MLR model and 3D-QSAR employing CoMSIA model provide the useful information for predicting the toxicity of other aromatic hydrocarbons by comparing the molecular structures of similar compounds. 展开更多
关键词 3D-QSAR COMSIA 国土资源部 比较分子相似性指数分析 毒性 多环芳烃 幼虫 缢蛏
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Degradation of chlorothalonil by ultrasonic irradiation:Kinetics and impact factors 被引量:2
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作者 郭洪光 高乃云 +2 位作者 黎雷 金玄雄 陈喆 《Journal of Central South University》 SCIE EI CAS 2011年第4期1068-1073,共6页
Factors on degradation of chlorothalonil(CLT) in water by high frequency ultrasonic irradiation were investigated.The effects of initial concentration of chlorothalonil,dosages of tertiary butyl alcohol,humic acid and... Factors on degradation of chlorothalonil(CLT) in water by high frequency ultrasonic irradiation were investigated.The effects of initial concentration of chlorothalonil,dosages of tertiary butyl alcohol,humic acid and initial pH value on degradation of chlorothalonil,as well as the reaction mechanism were studied.The results reveal that chlorothalonil could be effectively degradated by ultrasonic irradiation.The reaction constant value kapp decreased from 0.014 1 to 0.010 2 min-1 with the initial concentration increasing from 50 to 400 μg/L during 180 min irradiation.Tertiary butyl alcohol had negative effect on chlorothalonil degradation,while lower concentration of humic acid promoted the sonolysis,and kapp declined with the further concentration increasing.The kapp varied little when the pH value ranged from 3.10 to 10.28.It may be concluded that mechanical and pyrolysis process played main roles on the degradation of chlorothalonil in ultrasonic irradiation rather than ·OH attack.The electrical energy per order(EEo) values for sonolysis degradation of CLT were also calculated to evaluate the cost of the process. 展开更多
关键词 超声波照射 辐照降解 百菌清 影响因素 动力学 初始PH值 初始浓度 反应机理
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Aerobic biodegradation of di-n-butyl phthalate by Xiangjiang River sediment and microflora analysis 被引量:2
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作者 周洪波 林峰 +4 位作者 胡培磊 金德才 任洪强 赵晶 邱冠周 《Journal of Central South University》 SCIE EI CAS 2009年第6期948-953,共6页
Di-n-butyl phthalate (DBP),one of phthalate acid esters (PAEs),was investigated to determine its biodegradation rate using Xiangjiang River sediment and find potential DBP degraders in the enrichment culture of the se... Di-n-butyl phthalate (DBP),one of phthalate acid esters (PAEs),was investigated to determine its biodegradation rate using Xiangjiang River sediment and find potential DBP degraders in the enrichment culture of the sediment. The sediment sample was incubated with an initial concentration of DBP of 100 mg/L for 5 d. The biodegradation rate of DBP was detected using HPLC and the degraded products were analyzed by GC/MS. Subsequently,the microbial diversity of the enrichment culture was analyzed by polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP). The results reveal that almost 100% of DBP is degraded after merely 3 d,generating two main degraded products:mono-butyl phthalate (MBP) and 9-octadecenoic acid. After a six-month enrichment period under the pressure of DBP,the dominant family in the final enrichment culture is clustered with the Comamonas sp.,the remaining are affiliated with Sphingomonas sp.,Hydrogenophaga sp.,Rhizobium sp.,and Acidovorax sp. The results show the potential of these bacteria to be used in the bioremediation of DBP in the environment. 展开更多
关键词 邻苯二甲酸二丁酯 好氧生物降解 沉积物 微生物分析 湘江 限制性片段长度多态性 高效液相色谱法 生物降解率
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Preparation of New Poly Silicate Iron Coagulants and Their Coagulation Property on Micro-polluted Water 被引量:6
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作者 L.P. Wang X.F. Yan +4 位作者 X. XU A.B. Xu H. Qi Z.D. Zou N.Y. Gao 《Journal of Environmental Science and Engineering》 2011年第1期1-4,共4页
关键词 微污染水处理 聚硅酸铁 混凝剂 氯化铁 混凝性能 扫描电子显微镜 聚合硫酸铁 制备
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Application of ensemble H-infinity filter in aquifer characterization andcomparison to ensemble Kalman filter 被引量:1
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作者 Tong-chao Nan Ji-chun Wu 《Water Science and Engineering》 EI CAS CSCD 2017年第1期25-35,共11页
Though the ensemble Kalman filter(EnKF) has been successfully applied in many areas, it requires explicit and accurate model and measurement error information, leading to difficulties in practice when only limited inf... Though the ensemble Kalman filter(EnKF) has been successfully applied in many areas, it requires explicit and accurate model and measurement error information, leading to difficulties in practice when only limited information on error mechanisms of observational instruments for subsurface systems is accessible. To handle the uncertain errors, we applied a robust data assimilation algorithm, the ensemble H-infinity filter(EnHF), to estimation of aquifer hydraulic heads and conductivities in a flow model with uncertain/correlated observational errors. The impacts of spatial and temporal correlations in measurements were analyzed, and the performance of EnHF was compared with that of the EnKF. The results show that both EnHF and EnKF are able to estimate hydraulic conductivities properly when observations are free of error; EnHF can provide robust estimates of hydraulic conductivities even when no observational error information is provided. In contrast, the estimates of EnKF seem noticeably undermined because of correlated errors and inaccurate error statistics, and filter divergence was observed. It is concluded that EnHF is an efficient assimilation algorithm when observational errors are unknown or error statistics are inaccurate. 展开更多
关键词 Data assimilation Hydraulic parameter estimation Ensemble H-Infinity filter Ensemble Kalman filter Hydraulic conductivity ROBUSTNESS
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