The OH-induced degradation mechanism of 4-chloro-2-methylphenoxyacetic acid (MCPA) with two forms in the water: a DFT comparison

The initial degradation mechanisms of OH and 4-chloro-2-methylphenoxyacetic acid (MCPA) including molecular form and anionic form are studied at the MPWB1K/6-311+G(3df, 2p)//MPWB1K/6-31+G(d, p) level. Possible reaction pathways of H-atom abstraction and OH addition are considered in detail. By result comparison analysis, it is found that the reaction mechanisms for OH and two forms of MCPA are different, and most reactions for anionic MCPA are easier than those for molecular MCPA. For H-atom abstraction reactions, the calculated energies show that OH abstracting H-atom from -CH₃ group of molecular MCPA is the most kinetically favorable process; the potential energy surface for anionic MCPA indicates that H-atom in -CH₂ group is slightly easier to be abstracted than that in -CH₃ group. For OH addition reactions, the addition of OH to the C1 site is the initial step for molecular MCPA and the predominant product is 4-chloro-2-methylphenol (denoted P3), while the C4 site is the most reactive site for anionic MCPA and the primary product results from the hydroxylation of the aromatic ring, which is in good agreement with the experimental observation. In additional, results from PCM calculations show that most reactions in water phase are more kinetically favorable than those in gas phase, though the mechanisms discussed above will not be changed.     

Toxicological effect of MPA-CdSe QDs exposure on zebrafish embryo and larvae

Cadmium selenium (CdSe) quantum dots (QDs) are semiconductor nanocrystals that hold wide range of applications and substantial production volumes. Due to unique composition and nanoscale properties, their potential toxicity to aquatic organisms has increasingly gained a great amount of interest. However, the impact of CdSe QDs exposure on zebrafish embryo and larvae remains almost unknown. Therefore, the lab study was performed to determine the developmental and behavioral toxicities to zebrafish under continuous exposure to low level CdSe QDs (0.05-31.25 mg L⁻¹) coated with mercaptopropionic acid (MPA). The results showed MPA-CdSe exposure from embryo to larvae stage affected overall fitness. Our findings for the first time revealed that: (1) The 120 h LC₅₀ of MPA-CdSe for zebrafish was 1.98 mg L⁻¹; (2) embryos exposed to MPA-CdSe resulted in malformations incidence and lower hatch rate; (3) abnormal vascular of FLI-1 transgenic zebrafish larvae appeared after exposure to MPA-CdSe including vascular junction, bifurcation, crossing and particle appearance; (4) larvae behavior assessment showed during MPA-CdSe exposure a rapid transition from light-to-dark elicited a similar, brief burst and a higher basal swimming rate; (5) MPA-CdSe induced embryos cell apoptosis in the head and tail region. Results of the observations provide a basic understanding of MPA-CdSe toxicity to aquatic organisms and suggest the need for additional research to identify the toxicological mechanism.     

Harvesting of Chlorella sp. using hollow fiber ultrafiltration

Introduction

The suitability of the application of ultrafiltration (UF) to harvest Chlorella sp. from the culture medium was examined. We investigated the effects of two improved UF system, forward air?Cwater flushing and backwash with permeate, on the concentration process.

Materials and methods

Backwash with permeate was selected as an optimization of the improved UF system, which was more effective for permeate flux recovery. Moreover, the hollow fiber UF system by adding periodical backwash with permeate was examined for Chlorella sp. harvesting.

Results and discussion

It was found that Chlorella sp. could be concentrated with high recovery in a lab-scale experiment. An overall algal biomass recovery of above 90% was achieved when the volume concentration factor was 10. For an original biomass of 1.3?±?0.05?g/L, 1?min backwash followed by 20?min forward concentrating was more effective, which resulted in a recovery of 94% and a high average flux of 30.3?L/m²/h. In addition, the algal recovery was highly correlated to the volume concentration factor and the initial biomass. A high concentration factor or a high initial biomass resulted in a low biomass recovery.     

Urban transformation of a metropolis and its environmental impacts

Purpose

The aim of this paper is to understand the sustainability of urban spatial transformation in the process of rapid urbanization, and calls for future research on the demographic and economic dimensions of climate change. Shanghai towards its transformation to a metropolis has experienced vast socioeconomic and ecological change and calls for future research on the impacts of demographic and economic dimensions on climate change. We look at the major questions (1) to explore economic and demographic growth, land use and land-cover changes in the context of rapid economic and city growth, and (2) to analyze how the demography and economic growth have been associated with the local air temperature and vegetation.

Method

We examine urban growth, land use and land-cover changes in the context of rapid economic development and urbanization. We assess the impact of urban expansion on local air temperature and vegetation. The analysis is based on time series data of land use, normalized difference vegetation index (NDVI), and meteorological, demographic and economic data.

Results and discussion

The results indicate that urban growth has been driven by mass immigration; as a consequence of economic growth and urban expansion, a large amount of farmland has been converted to paved road and residential buildings. Furthermore, the difference between air temperature in urban and exurban areas has increased rapidly. The decrease of high mean annual NDVI has mainly occurred around the dense urban areas.     

Enhanced degradation of azo dye alizarin yellow R in a combined process of iron–carbon microelectrolysis and aerobic bio-contact oxidation

Purpose

With the aim of enhanced degradation of azo dye alizarin yellow R (AY) and further removal of the low-strength recalcitrant matter (LsRM) of the secondary effluent as much as possible, our research focused on the combination of aerobic bio-contact oxidation (ABO) with iron/carbon microelectrolysis (ICME) process.

Materials and methods

The combined ABO (with effective volume of 2.4?l) and ICME (with effectively volume of 0.4?l) process were studied with relatively short hydraulic retention time (HRT) of 4 or 6?h.

Results

At the HRT of 6?h with the reflux ratio of 1 and 2, the AY degradation efficiency in the final effluent was >96.5%, and the total organic carbon (TOC) removal efficiency were 69.86% and 79.44%, respectively. At the HRT of 4?h and the reflux ratio of 2, TOC removal efficiency and AY degradation efficiency were 73.94% and 94.89%, respectively. The ICME process obviously enhanced the total AY removal and the generated micromolecule acids and aldehydes then that wastewater backflow to the ABO where they were further biodegraded.

Conclusion

The present research might provide the potential options for the advanced treatment azo dyes wastewater with short HRT and acceptable running costs.     

零价铁复合有机膨润土处理染料废水的研究

针对目前印染废水处理现状及膨润土在水处理中回收困难等问题,提出将零价铁复合到有机膨润土中制成零价铁复合有机膨润土(ZVI-OB),以达到高效吸附并降解污染物的目的。以染料废水(Orange II) 作为研究对象,考察了废水中染料的初始浓度、pH以及吸附时间对ZVI-OB去除染料效率的影响,并研究了吸附后降解过程中时间和pH对污染物降解的影响以及降解前后膨润土层结构的变化。研究结果表明,ZVI-OB相对于CTMAB改性的有机膨润土而言,其吸附量有所降低,但ZVI-OB在吸附污染物之后能有效降解有机物。ZVI-OB在饱和吸附Orange II后经催化氧化,总有机碳含量降低为原来的19%,可以重复利用。     

不同改性多壁碳纳米管对Cr3+的吸附性能

通过催化裂解法制备多壁碳纳米管,利用不同化学试剂对多壁碳纳米管改性,研究了不同化学改性对多壁碳纳米管表面物理化学特性的影响和Cr3＋的吸附特性。结果表明,所制备的多壁碳纳米管孔隙均匀,外径为30～50 nm,长度为0.5～2μm,经过不同化学改性表面有效地引入了含氧基团。未改性、H2SO4、HNO3、H2SO4-HNO3改性碳纳米管对Cr3＋的吸附动力学均符合Langergren模型;吸附等温线均符合Freundlich模型。温度和pH升高均有利于改性多壁碳纳米管对Cr3＋的吸附。     

清洁发展机制在石油行业的潜力分析

系统分析了石油行业清洁发展机制项目的潜力,并提出了建议。在统计与石油行业相关的清洁发展机制方法学及其注册项目和温室气体减排量的基础上,给出了各方法学与石油行业的相关性。从勘探与生产、天然气与管道、炼油与化工三大领域,分析了石油行业潜在的清洁发展机制项目领域。最后,提出了对石油行业开展清洁发展机制相关工作的建议。     

膨润土接枝丙烯酸高吸水性树脂的抑尘性能研究

在微波辐射下制备了膨润土接枝丙烯酸高吸水性树脂(SAP)(一种加入聚乙烯醇(PVA),另一种不加入PVA)。结果表明:(1)红外光谱图表明,PVA与聚合网络形成了半互穿网络结构;X射线衍射图表明,膨润土与PVA、丙烯酸形成了具有无定形结构的复合产物。(2)不论是沙土堆还是尘土堆,喷洒膨润土接枝丙烯酸SAP溶液的抑尘效果明显比喷洒自来水好;喷洒膨润土接枝丙烯酸SAP溶液的尘土堆的抑尘效果好于沙土堆。(3)在温度为15℃时,考虑到节约成本的问题,首选不加入PVA的膨润土接枝丙烯酸SAP做抑尘剂;在温度为45℃时,加入PVA的膨润土接枝丙烯酸SAP适合做抑尘剂。(4)膨润土接枝丙烯酸SAP浓度越高,其耐蒸发性越高。     

Atmospheric deposition of phthalate esters in a subtropical city

In Chinese cities, air pollution has become a serious and aggravating environmental problem undermining the sustainability of urban ecosystems and the quality of urban life. Bulk atmospheric deposition samples were collected two-weekly, from February 2007 to January 2008, at three representative areas, one suburban and two urbanized, in the subtropical city, Guangzhou, China, to assess the deposition fluxes and seasonal variations of phthalate esters (PAEs). Sixteen PAE congeners in bulk deposition samples were measured and the depositional fluxes of ∑₁₆PAEs ranged from 3.41 to 190 μg m^?2 day^?1, and were highly affected by local anthropogenic activities. The significant relationship between PAEs and particulate depositional fluxes (correlation coefficient R² = 0.72, P < 0.001) showed PAEs are associated primarily with particles. Temporal flux variations of PAEs were influenced by seasonal changes in meteorological parameters, and the deposition fluxes of PAEs were obviously higher in wet season than in dry season. Diisobutyl phthalate (DiBP), Di-n-butyl phthalate (DnBP), and Di(2-ethylhexyl) phthalate (DEHP) dominated the PAE pattern in bulk depositions, which is consistent with a high consumption of the plasticizer market in China. PAE profiles in bulk deposition showed similarities exhibited in both time and space, and a weak increase of high molecular weight PAE (HMW PAE) contribution in the wet season compared to those in the dry season. Average atmospheric deposition fluxes of PAEs in the present study were significantly higher than those from other studies, reflecting strong anthropogenic inputs as a consequence of rapid industrial and urban development in the region.