离子液体吸收废印刷线路板热拆解过程中挥发性有机物——基于COSMO-RS模型

模拟废印刷线路板（WPCB）的热拆解过程,分析热拆解过程中的挥发性有机物（VOCs）组分;利用真实溶剂似导体屏蔽（COSMO-RS）模型对浓度较高的污染物进行量子力学模拟,研究离子液体（ILs）组成单元对目标污染物溶解度的影响差异,分析溶解过程中主导分子间作用力类型,确定优选吸收剂;测定不同溶剂进行溶解性,验证模型适用性.结果表明：①乙酸乙酯和环戊酮是浓度较高的VOCs组分,在240和250℃时浓度分别为43.1,153mg/m³和105,252mg/m³,质量百分比总和分别为76.3%和67.3%.②高表面屏蔽电荷密度分布峰、长烷基链阴阳离子和亲电基团的存在可提高乙酸乙酯和环戊酮在ILs中的溶解度.双三氟甲磺酰基亚胺盐（NTf₂^-）类ILs是一类优良吸收剂.静电力和范德华力对溶解过程起主导作用.③COSMO-RS模型可定性和半定量用于预测乙酸乙酯和环戊酮的溶解度.     

喜凉作物生长期对全球变暖停滞响应的时空差异——以中国绿洲为例

基于中国绿洲喜凉作物（chimonophilous crop）分布区39个站点1960~2016年逐日平均气温资料,运用线性趋势法、反距离加权插值（IDW）、Morlet小波、Mann-Kendall检验等方法,研究中国绿洲喜凉作物气候生长期的时空变化对变暖停滞的响应.结果表明：①变暖停滞期,中国绿洲喜凉作物气候生长期起、止日及生长期日数以-0.2d/10a、0.33d/10a、0.53d/10a的趋势变化,较1960~2016年起始日提前趋势减缓1.01d/10a,终止日推迟减缓1.28d/10a,生长期日数延长减缓2.3d/10a,对变暖停滞有响应.②中国绿洲喜凉作物气候生长期起始日对变暖停滞响应的站点有44%,终止日和生长期日数均为49%,主要分布在南疆、柴达木盆地和河西绿洲,其中河西绿洲对变暖停滞响应最明显,南疆次之,柴达木最小,而北疆绿洲不存在滞缓现象,显然空间差异明显.③M-K检验显示,中国绿洲喜凉作物气候生长期起、止日及生长期日数分别在2001年、1990年和1997年发生突变,起始日晚于变暖停滞起始年份,终止日和生长期日数早于变暖停滞起始年,且分绿洲生长期日数突变年与变暖停滞起始年相接近.④Morlet小波得出变暖停滞期其变化稳定存在2.4~4.3a的震荡周期,表明未来几年中国绿洲喜凉作物气候生长期仍持续延长.     

焚烧飞灰重金属含量及浸出长期变化规律研究

通过对24个飞灰样品的重金属全量消解和高精度X射线荧光光谱法（HDXRF）快速检测结果进行线性回归分析,发现HDXRF法可较准确测定飞灰中Cu、Pb、Zn、Ni和Cd含量（线性回归决定系数R²³0.90）.采用HDXRF法对某焚烧厂飞灰重金属含量6个月快速检测及浸出毒性测定数据统计分析发现：飞灰重金属月均含量较稳定（变异系数CV<0.14）但日均含量波动较大（CV>2.54）;飞灰中Pb、Cu和Zn含量呈正相关（相关系数r>0.78）;金属浸出浓度受浸出液终点pH值影响显著,超标频率依次为Pb（68.9%）、Cd（66.1%）、Ni（24.0%）、Cu（14.2%）和Zn（1.6%）.短期飞灰金属含量和浸出毒性数据受焚烧工况,烟气处理工况和垃圾组分等多种因素共同影响,不具有代表性.为评估垃圾分类源头削减重金属效果,建议采用快速检测方法对焚烧飞灰重金属含量进行长期监测.     

北部湾南流江流域土地覆盖及生物多样性模拟

以北部湾独流入海河流南流江流域为研究对象,基于研究区2000年和2015年遥感数据解译的土地利用数据以及社会经济等数据,采用CLUE-S模型对未来2030年生态保护情景、自然增长情景以及粮食安全情景的土地利用格局进行了模拟预测,在此基础上采用InVEST模型对流域过去和未来不同情景的生物多样性进行了评估,探讨了流域生物多样性的生境质量和生境退化程度.结果表明：2000~2015年南流江流域建设用地、园地、水域和未利用地呈现出增加趋势,其中建设用地的增幅最大,而耕地和林地减幅最大.流域土地系统中共存在着34种土地网络转移流关系,上游存在24种,中游20种,下游28种,耕地与建设用地、耕地与林地以及林地与园地之间的转换占到流域总土地利用变化的70.74%.CLUE-S模型模拟未来土地利用的Kappa系数达到0.86,表明模型模拟未来情景的土地利用精度满足要求.2000年、2015年、2030年生态保护情景、2030年自然增长情景以及2030年粮食安全情景流域生境质量总得分和平均得分分别为866630,900357,921055,876231,865370和0.7457,0.7747,0.7925,0.7539,0.7466.2030年3种情景的中上游和下游地区生物多样性都呈现出不同程度的改善趋势,而中游地区则表现出退化趋势.     

Aerosol optical properties under different pollution levels in the Pearl River Delta (PRD) region of China

To clarify the aerosol hygroscopic growth and optical properties of the Pearl River Delta(PRD)region,integrated observations were conducted in Heshan City of Guangdong Province from October 19 to November 17,2014.The concentrations and chemical compositions of PM_(2.5),aerosol optical properties and meteorological parameters were measured.The mean value of PM_(2.5) increased from less than 35(excellent) to 35-75 μg/m~3(good) and then to greater than 75 μg/m~3(pollution),corresponding to mean PM_(2.5) values of 24.9,51.2,and 93.3 μg/m~3,respectively.The aerosol scattering hygroscopic growth factor(f(RH = 80%)) values were 2.0,2.12,and 2.18 for the excellent,good,and pollution levels,respectively.The atmospheric extinction coefficient(σext)and the absorption coefficient of aerosols(σ_(ap)) increased,and the single scattering albedo(SSA)decreased from the excellent to the pollution levels.For different air mass sources,under excellent and good levels,the land air mass from northern Heshan had lower f(RH) and σ_(sp) values.In addition,the mixed aerosol from the sea and coastal cities had lower f(RH) and showed that the local sources of coastal cities have higher scattering characteristics in pollution periods.     

Tuning the fill percentage in the hydrothermal synthesis process to increase catalyst performance for ozone decomposition

The performance of Ce-OMS-2 catalysts was improved by tuning the fill percentage in the hydrothermal synthesis process to increase the oxygen vacancy density. The Ce-OMS-2 samples were prepared with different fill percentages by means of a hydrothermal approach (i.e. 80%, 70%, 50% and 30%). Ce-OMS-2 with 80% fill percentage (Ce-OMS-2-80%) showed ozone conversion of 97%, and a lifetime experiment carried out for more than 20?days showed that the activity of the catalyst still remained satisfactorily high (91%). For Ce-OMS-2-80%, Mn ions in the framework as well as K ions in the tunnel sites were replaced by Ce⁴⁺, while for the others only Mn ions were replaced. O₂-TPD and H₂-TPR measurements proved that the Ce-OMS-2-80% catalyst possessed the greatest number of mobile surface oxygen species. XPS and XAFS showed that increasing the fill percentage can reduce the AOS of Mn and augment the amount of oxygen vacancies. The active sites, which accelerate the elimination of O₃, can be enriched by increasing the oxygen vacancies. These findings indicate that increasing ozone removal can be achieved by tuning the fill percentage in the hydrothermal synthesis process.     

Bioassay: A useful tool for evaluating reclaimed water safety

Wastewater reclamation and reuse has been proved to be an effective way to relieve the fresh water crisis. However, toxic contaminants remaining in reclaimed water could lead to potential risk for reuse, and the conventional water quality standards have difficulty guaranteeing the safety of reclaimed water. Bioassays can vividly reflect the integrated biological effects of multiple toxic substances in water as a whole, and could be a powerful tool for evaluating the safety of reclaimed water. Therefore, in this study, the advantages and disadvantages of using bioassays for evaluating the safety of reclaimed water were compared with those of conventional water quality standards. Although bioassays have been widely used to describe the toxic effects of reclaimed water and treatment efficiency of reclamation techniques, a single bioassay cannot reflect the complex toxicity of reclaimed water, and a battery of bioassays involving multiple biological effects or in vitro tests with specific toxicity mechanisms would be recommended. Furthermore, in order to evaluate the safety of reclaimed water based on bioassay results, various methods including potential toxicology, the toxicity unit classification system, and a potential eco-toxic effects probe are summarized as well. Especially, some integrated ranking methods based on a bioassay battery involving multiple toxicity effects are recommended as useful tools for evaluating the safety of reclaimed water, which will benefit the promotion and guarantee the rapid development of the reclamation and reuse of wastewater.     

Role of glycine on sulfuric acid-ammonia clusters formation: Transporter or participator

Glycine(Gly) is ubiquitous in the atmosphere and plays a vital role in new particle formation(NPF).However,the potential mechanism of its on sulfuric acid(SA)-ammonia(A)clusters formation under various atmospheric conditions is still ambiguous.Herein,a(Gly)_x·(SA)_y·(A)_z(z≤x+y≤3) multicomponent system was investigated by using density functional theory(DFT) combined with Atmospheric Cluster Dynamics Code(ACDC) at different temperatures and precursor concentrations.The results show that Gly,with one carboxyl(-COOH) and one amine(-NH_2) group,can interact strongly with SA and A in two directions through hydrogen bonds or proton transfer.Within the relevant range of atmospheric concentrations,Gly can enhance the formation rate of SA-A-based clusters,especially at low temperature,low [SA],and median [A].The enhancement(R) of Gly on NPF can be up to 340 at T=218.15 K,[SA]=10~4,[A]=10~9,and [Gly]=10~7 molecules/cm~3.In addition,the main growth paths of clusters show that Gly molecules participate into cluster formation in the initial stage and eventually leave the cluster by evaporation in subsequent cluster growth at low [Gly],it acts as an important "transporter" to connect the smaller and larger cluster.With the increase of [Gly],it acts as a "participator" directly participating in NPF.     

Influence of floc dynamic protection layer on alleviating ultrafiltration membrane fouling induced by humic substances

Cake layer formation is inevitable over time for ultrafiltration (UF) membrane-based drinking water treatment. Although the cake layer is always considered to cause membrane fouling, it can also act as a “dynamic protection layer”, as it further adsorbs pollutants and dramatically reduces their chance of getting to the membrane surface. Here, the UF membrane fouling performance was investigated with pre-deposited loose flocs in the presence of humic acid (HA). The results showed that the floc dynamic protection layer played an important role in removing HA. The higher the solution pH, the more negative the floc charge, resulting in lower HA removal efficiency due to the electrostatic repulsion and large pore size of the floc layer. With decreasing solution pH, a positively charged floc dynamic protection layer was formed, and more HA molecules were adsorbed. The potential reasons were ascribed to the smaller floc size, greater positive charge, and higher roughness of the floc layer. However, similar membrane fouling performance was also observed for the negative and positive floc dynamic protection layers due to their strong looseness characteristics. In addition, the molecular weight (MW) distribution of HA also played an important role in UF membrane fouling behavior. For the small MW HA molecules, the chance of forming a loose cake layer was high with a negatively charged floc dynamic protection layer, while for the large MW HA molecules it was high with a positively charged floc dynamic protection layer. As a result, slight UF membrane fouling was induced.     

Influence of environmental factors on arsenic accumulation and biotransformation using the aquatic plant species Hydrilla verticillata

Hydrilla verticillata(waterthyme) has been successfully used for phytoremediation in arsenic(As) contaminated water.To evaluate the effects of environmental factors on phytoremediation,this study conducted a series of orthogonal design experiments to determine optimal conditions,including phosphorus(P),nitrogen(N),and arsenate(As(Ⅴ))concentrations and initial pH levels,for As accumulation and biotransformation using this aquatic plant species,while also analyzing As species transformation in culture media after 96-hr exposure.Analysis of variance and the signal-to-noise ratio were used to identify both the effects of these environmental factors and their optimal conditions for this purpose.Results indicated that both N and P significantly impacted accumulation,and N was essential in As species transformation.High N and intermediate P levels were critical to As accumulation and biotransformation by H.verticillata,while high N and low P levels were beneficial to As species transformation in culture media.The highest total arsenic accumulation was(197.2±17.4) μg/g dry weight when As(V) was at level 3(375μg/L),N at level 2(4 mg/L),P at level 1(0.02 mg/L),and pH at level 2(7).Although H.verticillata is highly efficient in removing As(Ⅴ) from aquatic environments,its use could be potentially harmful to both humans and the natural environment due to its release of highly toxic arsenite.For cost-effective and ecofriendly phytoremediation of As-contaminated water,both N and P are helpful in regulating As accumulation and transformation in plants.