量子点半导体光放大器二能级系统的数值建模

量子点半导体光放大器（QD—SOA）的二能级速率方程具有简单易懂并能较好的描述其工作特性的特点．为便于利用数值模拟方法分析QD—SOA的动态工作特性,在QD—SOA的二能级速率方程基础上,采用对QD—SOA进行了空间分段,对输入脉冲进行了时间分段的方法,建立了QD—SOA的二能级数值模型．图2,参4．     

有机污染物在土壤和地下水中迁移建模

地下水有机污染是由人类活动引起的各种物理、化学和生物等干扰过程造成有机污染物自土壤表面迁移至地下含水层的结果。为了解有机污染物如何自土表经过不饱和层（包气带）进入含水层，需要对不饱和层中所进行的各种物理、化学和生物等过程进行较准确的定量描述。本文就不饱和层和含水层中水分和有机污染物迁移建模的一些基本概念和方法进行综述，并列举了一些经典的和新颖的建模方法。     

高温堆肥中微生物的生长特征及动力学建模

对高温好氧堆肥中微生物的生长特征和动力学进行了研究，发现微生物的生长受温度影响很大，随温度变化呈波动性变化．同时，基于Logistic模型和Malthus模型，对微生物生长进行分析，得到了描述堆肥过程中的微生物生长动力学模型和模型参数．用实验数据与模型计算值进行验证比较，模型计算与实验结果拟合良好，模型正确地反映了高温好氧堆肥中微生物的生长过程及其动力学机制．图3表1参12     

福建夏初不同山区背景点气溶胶数浓度特征及潜在源区

随着全球经济的发展,快速城市化使生态环境受到严重威胁,已成为全球的研究热点。以福建为例,利用细颗粒物测量仪Fidas Frog研究福建山区夏初时段不同背景下气溶胶数浓度的污染特征及周边城市化对其的影响,2017年6月分别在福建宁德古田(县城)、南平玉山(清洁地区)和福州七星坪(城市郊区)进行连续观测。结果表明,观测期间不同观测点颗粒物数浓度呈不同特征:古田气溶胶数浓度主要集中在小于400 nm处,气溶胶数浓度平均值为434.37 cm~(-3);玉山作为清洁地区,其平均气溶胶数浓度最低,积聚模态(0.18～1.00μm)和粗粒子模态(1.00～20.00μm)颗粒物数浓度相当;七星坪气溶胶平均数浓度最高,其气溶胶数浓度主要集中在小于500 nm处;古田和玉山数浓度粒径谱呈双峰型分布,而七星坪数浓度粒径谱呈单峰型分布。通过对后向轨迹聚类及气溶胶数浓度的潜在源权重分析,得到古田强潜在源区为观测点以南区域,受古田县城人为活动影响较大;玉山和七星坪强潜在源区都在观测点西南区域,七星坪积聚模态气溶胶主要来自厦门、泉州、莆田和福州等沿海城市。     

石灰性紫色土上磷肥老化过程中土壤Olsen-P的变化特征及其模拟

Olsen-P在石灰性土壤中被用来表征可被植物吸收利用的P,研究施肥处理后石灰性土壤老化过程中Olsen-P的动态变化特征,不仅对于指导石灰性紫色土合理施肥、提高磷肥利用率及农田作物生长管理有重要意义,还有助于控制磷素流失,减轻其对水体的污染.目前应用模型对Olsen-P在土壤中动态变化的研究已有报道[1],但对于肥料在老化过程中     

三维荧光光谱结合化学分析评价胞外多聚物的提取方法

采用高速离心法、EDTA法、阳离子交换树脂法(CER)、甲醛法和甲醛 NaOH法提取普通活性污泥和好氧颗粒污泥的胞外多聚物(EPS),结合三维荧光光谱对五种方法进行评价,并对EPS中的成分进行分析.结果表明,5个EPS的三维荧光光谱峰值中,2个是类蛋白峰,2个是类富里酸峰,1个是类腐殖酸峰.匀浆对好氧颗粒污泥EPS的提取必不可少.甲醛严重干扰核酸的化学测定.透析前后的EPS提取液均应作为分析对象.单纯高速离心法无法有效提取EPS.CER法不容易造成细胞破壁,是一种比较有效的方法.虽然甲醛 NaOH法对EPS的提取量最大,但对细胞的破壁程度也最大.EDTA会导致溶胞,并严重污染EPS.甲醛 NaOH法和EDTA法都会严重干扰胞外蛋白的三维荧光光谱分析.     

土壤中六价铬的吸附与提取

本文研究了土壤中六价铬的吸附行为及其提取.结果表明,土壤对六价铬的吸附等混线符合Freundlich方程和Langmuir方程.pH及各种阴离子对吸附过程有不同程度的影响,其中以pH和磷酸根、氟离子的影响较为明显.土壤吸附的六价铬不易为H_2O,1mol/1 NH_4Cl和1mol/l NH_4OAc(pH7)提取,但易为0.5mol/l NH_4F(pH8.2),0.5mol/l NaHCO_3(pH8.5)和0.5mol/l Na_2CO_3提取.文章中还就土壤对六价铬的吸附机制以及所提出的土壤中六价格的提取剂的优点进行了讨论.     

城市化进程中天津市近郊区土壤多环芳烃的污染特征变化及健康风险

多环芳烃(PAHs)是城市主要污染物之一,对居民健康构成了巨大的威胁.然而,探讨城市化与区域PAHs污染特征及其健康风险的关系的研究却很少.基于正定矩阵因子分解(PMF)模型和终身累积癌症风险(ILCR)模型,本文对比了2008年和2012年天津市近郊地区土壤中PAHs的含量、组成、来源及其导致的生态风险.结果表明,土壤中PAHs的浓度增加了1倍,低分子量组分的比例由28.6%上升到34.8%,优势化合物由苯并(b)荧蒽、荧蒽和苯并(g,h,i)苝转变为菲、萘和荧蒽.土壤PAHs主要来源由2008年的燃煤源(51.3%)、机动车排放(23.1%)和生物质燃烧排放(14.5%)转变为2012年的燃煤源(41.0%)、机动车排放(28.4%)和石油源(22.3%),排放源的变化与区域工业能源结构调整以及居民日常生活习惯改变有着密切的关联.机动车排放源贡献率增加导致当地居民的土壤PAHs暴露风险上升,皮肤接触是主要的暴露途径,儿童是对暴露风险最敏感的亚群体.     

兰州市城区与背景点冬季大气气溶胶中主要无机离子的组成特征

对冬季兰州市城区和环境背景观测点的大气气溶胶样品进行了综合分析.结果显示,在同一地区的气溶胶中,细颗粒(PM10)所富集的无机离子浓度要比粗颗粒(TSP)高出7.59%-15.3%.说明水溶性离子更易在细颗粒中富集.气溶胶在受到人为污染影响后,其水溶性离子的浓度和构成也会因此发生变化.我们可以用测定同一区域内不同采样点气溶胶水溶物浓度的方法,来判断该地区大气气溶胶受污染的程度.在城区集中燃放烟花爆竹的除夕夜,气溶胶中部分水溶性离子浓度会迅速上升.上升幅度最大的是 K ,与非燃放期相比,TSP和 PM10中K 分别高出10.70倍和11.5倍.其次是NO-3, SO2-4,Mg2 ,NH 4和Cl-离子.     

精确三维光谱数据活性关系方法应用于ToxCast数据库中雌激素受体数据分类、验证和特征提取的建模策略

本文利用三维光谱数据活性关系方法(3D-SDAR)对ToxCast数据库中1 528种化合物的雌激素潜能(表示为18分复合高通量筛选生物测定)进行建模。由于缺少170核磁共振(NMR)仿真软件,信息量最大的碳-碳3D-SDAR指纹随着一些指标变量增强,这些指标变量包括来自羰基和酰胺的氧原子、酯基、磺酰、硝基、脂肪族羟基和酚羟基官能团。为了评价本文作者所开发模型的预测性能的真实性,美国环境保护署为研究人员提供了2 008种化合物组成一套盲测。其中,543种化合物有文献可查数据—他们的结合力有助于评估开发模型的外部分类精度：得到预测精度0.62,敏感度0.71,和特异度0.53的结果。与其他建模技术相比,本文作者开发的模型几乎没有简化建模集和预测集之间的性能。3D-SDAR映射技术可以识别拟雌激素活性所必需的结构特征：1) 存在一个酚的OH官能团或环己烯酮,2)与第一苯酚环上的氧距离6 ?到8 ?的第二芳香或酚环,3) 存在一个与苯酚环的几何中心距离大约6 ?的甲基官能团,4)一个靠近(距离几何中心～4?)某个苯酚环的羰基官能团。
精选自Svetoslav H. Slavov, Richard D. Beger. Rigorous 3-dimensional spectral data activity relationship approach modeling strategy for toxcast estrogen receptor data classification, validation, and feature extraction. Environmental Toxicology and Chemistry: Volume 36, Issue 3, pages 823–830, July 2017. DOI: 10.1002/etc.3578
详情请见http://onlinelibrary.wiley.com/wol1/doi/10.1002/etc.3578/full
     

青鳉鱼的行为特征提取研究

采用生物行为传感器获取青鳉鱼的行为数据时,青鳉鱼个体差异会导致采集到的原始电信号在时空特性下完全不同。重要的行为特征往往被隐藏在原始信号中,传统的信号处理方法无法实时而有效地提取到这些特征。针对这个问题,观察并记录了暴露实验前后青鳉鱼的行为变化,提出了一种可以高效表征行为特征的直方图统计算法。实验结果表明,该方法能够准确对应人眼观测到的暴露实验前后鱼的行为变化趋势,同时也为后续异常行为识别提供一定的支持和参考。     

Stratification and Tidal Current Effects on Larval Transport in the Eastern English Channel: Observations and 3D Modeling

We study how the combination of tides and freshwater buoyancy affects the marine organisms accumulation and horizontal transport in the ROFI system of the eastern English Channel. The Princeton Ocean Model coupled with a particle-tracking module is used to study the migration of fish eggs and larvae under different forcing conditions. Results of modeling are validated against observed concentrations of Flounder (Pleuronectes flesus) larvae. Numerical Lagrangian tracking experiments are performed with passive and active particles, representing sea-water organisms. Passive particles are neutrally buoyant whereas active particles are able to exercise light dependent vertical migrations equating to the swimming behavior of larvae. The experiments reveal that the strongest accumulation of particles occurs along the French coast on the margin of the ROFI. This happens because the interaction between the turbulence, the freshwater buoyancy input, and tidal dynamics, produces particle trapping and vertical spreading within the frontal convergence zone. Tides and freshwater input induce net alongshore horizontal transport toward the North. Tidal currents modulate the magnitude of horizontal transport whereas the fresh water input controls more the location of accumulation zones. Tracking experiments with active particles indicate that the vertical migration leads to a significant departure from the passive particle transport pattern. Differences lie in the shape of the particle transport pattern and the rate of the northward migration. In particular, vertically migrating particles travel slower. To find possible Flounder migration pathways, particles are released within the assumed spawning area of Flounder. The model predicts larvae drift routes and demonstrates that throughout the entire particle-tracking period the horizontal structure of the particle distribution is consistent with the larvae concentrations observed during the field experiments.     

3D numerical modelling of turbidity currents

During floods, the density of river water usually increases due to a subsequent increase in the concentration of the suspended sediment that the river carries, causing the river to plunge underneath the free surface of a receiving water basin and form a turbidity current that continues to flow along the bottom. The study and understanding of such complex phenomena is of great importance, as they constitute one of the major mechanisms for suspended sediment transport from rivers into oceans, lakes or reservoirs. Unlike most of the previous numerical investigations on turbidity currents, in this paper, a 3D numerical model that simulates the dynamics and flow structure of turbidity currents, through a multiphase flow approach is proposed, using the commercial CFD code FLUENT. A series of numerical simulations that reproduce particular published laboratory flows are presented. The detailed qualitative and quantitative comparison of numerical with laboratory results indicates that apart from the global flow structure, the proposed numerical approach efficiently predicts various important aspects of turbidity current flows, such as the effect of suspended sediment mixture composition in the temporal and spatial evolution of the simulated currents, the interaction of turbidity currents with loose sediment bottom layers and the formation of internal hydraulic jumps. Furthermore, various extreme cases among the numerical runs considered are further analyzed, in order to identify the importance of various controlling flow parameters.     

3D model for a secondary facultative pond

This paper describes a comprehensive model of wastewater treatment in secondary facultative ponds, which combines 3D hydrodynamics with a mechanistic water quality model. The hydrodynamics are based on the Navier-Stokes equation for incompressible fluids under shallow water and Boussinesq assumptions capturing the flow dynamics along length, breadth and depth of the pond. The water quality sub model is based on the Activated Sludge Model (ASM) concept, describing COD and nutrient removal as function of bacterial growth following Monod kinetics, except for Escherichia coli removal, which was modelled as first order decay. The model was implemented in the Delft3D software and was used to evaluate the effect of wind and the addition of baffles on the water flow pattern, temperature profiles in the pond and treatment efficiency. In contrast to earlier models reported in the literature, our simulation results did not show any significant improvement in COD removal (based on the ASM concept) with addition of baffles or under intermittent wind-induced mixing. However, E. coli removal efficiency, based on a first order decay approach, showed a fair improvement in the presence of baffles or intermittent wind-induced mixing. Furthermore, simulations with continuous wind effect showed a decrease in removal efficiency for COD but a further increase in E. coli removal efficiency. Such contrasting results for two different approaches in modelling could indicate that the first order decay concept might not be appropriate to describe all the interactions between biochemical processes in a pond. However, these interpretations remain theoretical, as the model needs validation with field data.     

Towards a 3D National Ecological Footprint Geography

In the last decades several indicators have been proposed to guide decision makers and help manage natural capital. Among such indicators is the Ecological Footprint, a resource accounting tool with a biophysical and thermodynamic basis. In our recent paper (Niccolucci et al., 2009), a three dimensional Ecological Footprint (^3DEF) model was proposed to better explain the difference between human demand for natural capital stocks and resource flows. Such ^3DEF model has two relevant dimensions: the surface area (or Footprint size - EF_size) and the height (or Footprint depth - EF_depth). EF_size accounts for the human appropriation of the annual income from natural capital while EF_depth accounts for the depletion of stocks of natural capital and/or the accumulation of stocks of wastes. Building on the 2009 Edition of the National Footprint Accounts (NFA), global trends (from 1961 to 2006) for both EF_size and EF_depth were analyzed. EF_size doubled from 1961 to 1986; after 1986 it reached an asymptotic value equal to the Earth's biocapacity (BC) and remained constant. Conversely, EF_depth remained constant at the “natural depth” value until 1986, the year in which global EF first exceeded Earth's BC. A growing trend was observed after that. Trends in each Footprint land type were also analyzed to better appraise the land type under the higher human induced stress. The usefulness of adopting such ^3DEF model in the National Footprint Accounts was also discussed. In comparing any nation's demand for ecological assets with its own biocapacity in a given year, four hypothetical cases were identified which could serve as the basis for a new Footprint geography based on both size and depth concepts. This ^3DEF model could help distinguish between the use of natural capital flows and the depletion of natural capital stocks while maintaining the structure and advantages of the classical Ecological Footprint formulation.     

基于三维石墨烯去除水体中四环素

三维石墨烯具有较大的比表面积和独特的空间孔结构,为捕获抗生素提供大量的活性位点,能够促进抗生素在多孔网络结构的运输。本研究采用化学还原自组装方法制备了有序多孔结构的三维石墨烯(3DG),并将其应用于去除水体中的四环素(TC)。研究结果显示,TC在3DG的吸附过程同时符合伪二级动力学和Langmuir方程。在最佳吸附pH=6时,3DG对TC最大饱和吸附量达到322.58 mg·g^-1,并具备良好的再生性能,经过5次吸附-解吸重复试验后,3DG对水体中TC的去除率仍可达68%。因此,3DG是一种在环境分析领域具有良好应用前景的吸附材料。     

基于AutoCAD的三维图转换成平面图的研究

介绍了AutoCAD的Solview命令和Soldraw命令，从而实现三维实心体模型向二维平面图快速转换的方法和使用技巧．     

基于3D体外培养模型的化学物质肝毒性预测研究进展

精准预测化学物质肝毒性对保护人类生命健康安全具有重要意义。为了避免动物实验固有的物种间差异性和局限性,开发和利用与人源肝脏生理功能直接相关的体外模型至关重要。三维(3D)体外细胞培养模型相比于二维(2D)模型能更好地保留肝细胞代谢功能,再现肝脏内多种细胞相互作用的复杂环境,是体外模拟肝脏生理功能的一大进步,并初步在药物毒性评估方面获得应用的同时,也被引入到环境毒理学领域用于预测环境化学物质的肝毒性。本文介绍了目前常用3D体外细胞培养模型的制备方法,综述了其在环境化学物质(纳米材料、持久性有机污染物和新型有机污染物等)肝毒性预测方面的应用现状,最后探讨了3D肝细胞体外培养模型在有害结局路径指导下开展肝毒性预测的研究与应用前景。     

3D类器官模型的研究进展及其在化学品毒理学评价中的应用展望

化学品毒理学评价主要采用2D细胞培养体系和动物实验模型,但2种模型均存在一定的局限性.2D细胞培养常用特定细胞系,与体内多细胞组织及其生理功能差异较大.动物实验耗时、昂贵,并受伦理学限制,且存在种属差异问题.3D类器官模型可模拟组织器官的复杂结构和功能,产生细胞间和细胞-基质相互作用,与体内生理反应更为相似,因此能更准确地反映毒性效应和机理.类器官模型在化学品毒理学评价领域具有良好的应用前景,将显著提升毒理学基础研究能力以及对化学品风险评价和管理的支撑作用,但相关研究尚处于起步阶段.本文从类器官的生理学特性、构建方法及组织类型等方面,重点讨论了类器官模型在化学品毒理学研究中的适用性,并提出了存在的挑战和对策.