有机化合物生物富集因子的计算机预测研究

有机化合物在生物体内的富集,通常用生物富集因子(bioconcentration factor,简称BCF)来表达,这是化合物生态环境毒性评估的重要指标。为合理预测有机化合物是否易于生物富集,首先从美国环保局网站收集了624个具有不同BCF值的化合物,然后采用7种分子指纹结合5种机器学习方法(包括支持向量机、C4.5决策树、k最近邻法、随机森林法和朴素贝叶斯法),构建了化合物BCF的分类预测模型,所有模型均采用独立外部验证集进行验证。其中,使用Chemo Typer分子指纹结合支持向量机方法得到的二分类模型,整体预测准确度最好,达到了85.4%。通过采用信息增益、频率分析等方法,进一步确定了化合物中易于引起生物富集的关键子结构,包括芳基氯、二芳基醚、氯代烷烃等。研究中所用到的方法为有毒化学品的生态风险评价提供了良好可靠的预测工具。     

洁净室亚微米颗粒污染的模型模拟研究

采用基于欧拉框架下的Small Slip Model颗粒拟流体模型和Three Layer Model壁面沉积边界条件,并运用标准的k-ε湍流模型和壁面函数方法对非单向流洁净室内亚微米颗粒污染物的输运和分布结构进行数值模拟。模拟结果和实验结果具有较好的一致性,说明所采用的计算模型和方法具有良好的合理性和适用性。洁净室内颗粒污染物的输运和分布特征受空气流场的制约,尤其是室内存在的回流区和旋涡区,对污染控制和排除效率有着重要的影响。此外,颗粒的湍流扩散作用在对流作用较弱的区域发挥着重要的作用,对其机理的正确认识和分析有助于提高模型研究的准确性。     

分光光度分析加标回收率直接计算的数学模型研究

根据分光光度分析试液的吸光度与测定过程中的有关参数,推导出直接计算加标回收率的数学模型。经应用验证,该模型推导正确,应用结果可靠,而且计算简单、快速     

Improving effectiveness of systematic conservation planning with density data

Systematic conservation planning aims to design networks of protected areas that meet conservation goals across large landscapes. The optimal design of these conservation networks is most frequently based on the modeled habitat suitability or probability of occurrence of species, despite evidence that model predictions may not be highly correlated with species density. We hypothesized that conservation networks designed using species density distributions more efficiently conserve populations of all species considered than networks designed using probability of occurrence models. To test this hypothesis, we used the Zonation conservation prioritization algorithm to evaluate conservation network designs based on probability of occurrence versus density models for 26 land bird species in the U.S. Pacific Northwest. We assessed the efficacy of each conservation network based on predicted species densities and predicted species diversity. High‐density model Zonation rankings protected more individuals per species when networks protected the highest priority 10‐40% of the landscape. Compared with density‐based models, the occurrence‐based models protected more individuals in the lowest 50% priority areas of the landscape. The 2 approaches conserved species diversity in similar ways: predicted diversity was higher in higher priority locations in both conservation networks. We conclude that both density and probability of occurrence models can be useful for setting conservation priorities but that density‐based models are best suited for identifying the highest priority areas. Developing methods to aggregate species count data from unrelated monitoring efforts and making these data widely available through ecoinformatics portals such as the Avian Knowledge Network will enable species count data to be more widely incorporated into systematic conservation planning efforts.     

Effects of white‐nose syndrome on regional population patterns of 3 hibernating bat species

Hibernating bats have undergone severe recent declines across the eastern United States, but the cause of these regional‐scale declines has not been systematically evaluated. We assessed the influence of white‐nose syndrome (an emerging bat disease caused by the fungus Pseudogymnoascus destructans, formerly Geomyces destructans) on large‐scale, long‐term population patterns in the little brown myotis (Myotis lucifugus), the northern myotis (Myotis septentrionalis), and the tricolored bat (Perimyotis subflavus). We modeled population trajectories for each species on the basis of an extensive data set of winter hibernacula counts of more than 1 million individual bats from a 4‐state region over 13 years and with data on locations of hibernacula and first detections of white‐nose syndrome at each hibernaculum. We used generalized additive mixed models to determine population change relative to expectations, that is, how population trajectories differed with a colony's infection status, how trajectories differed with distance from the point of introduction of white‐nose syndrome, and whether declines were concordant with first local observation of the disease. Population trajectories in all species met at least one of the 3 expectations, but none met all 3. Our results suggest, therefore, that white‐nose syndrome has affected regional populations differently than was previously understood and has not been the sole cause of declines. Specifically, our results suggest that in some areas and species, threats other than white‐nose syndrome are also contributing to population declines, declines linked to white‐nose syndrome have spread across large geographic areas with unexpected speed, and the disease or other threats led to declines in bat populations for years prior to disease detection. Effective conservation will require further research to mitigate impacts of white‐nose syndrome, renewed attention to other threats to bats, and improved surveillance efforts to ensure early detection of white‐nose syndrome.     

湍流凝聚接触絮凝沉淀水处理技术在垃圾焚烧发电厂循环冷却水补充水处理系统中的应用

详细阐述了湍流凝聚接触絮凝沉淀水处理技术的核心理论,通过该技术在双港垃圾焚烧发电厂循环水预处理工艺上的应用实例,介绍了系统设计、设备构造、原水水质、初期调试数据、设备正常运行的影响因素,以及水处理效率.     

近海水域三维水动力学和水质的精细模型研究

本文把研究近海水域水质污染与控制的三维精细预报系统作为目标。在分析近海环境中各种物理、化学和生物现象的基础上 ,针对近海水域水污染的特点 ,选定一个包含有二十多个状态变量及其相互作用的三维非线性系统作为研究和模拟对象 ,建立了一个统一考虑物理、化学和生物等过程综合作用的近海水域三维水动力学和水质的精细模型 ,并成功地应用于日本博多湾的水质模拟。     

介绍一套岩浆过程模拟软件──TRAZAS

介绍了一套岩浆过程模拟软件──TRAZAS的运行环境、设计基础、设计流程及主要功能，并以云南老王寨金矿区煌斑岩成因研究为例，简单说明了软件的运用。     

城市综合交通规划环境评价中大气环境预测的数学模型

以城市综合交通规划环境影响评价中大气环境影响预测为例,分析了战略环境评价(SEA)中环境影响预测的特点,提出了SEA中应用空气质量模型的基本原则。在此基础上,对现有的空气质量模型(主要包括箱模式、高斯模式、拉格朗日模式和欧拉型数值模式)分别讨论了模型的时空尺度、所描述的环境要素和因子、模型的复杂性和输入数据、模拟区的下垫面特征在城市综合交通规划环境评价中的适用性。     

Simple screening models of NAPL dissolution in the subsurface

Three simple screening models of nonaqueous phase liquid (NAPL) dissolution in the subsurface are proposed based on the NAPL mass conservation and the assumption of proportionality between the residual NAPL source zone concentration and the remaining residual NAPL mass. The purpose of the proposed models is to predict the solute concentration in the zone of the residual NAPL as a result of dissolution. The predicted source zone concentration decrease is used to simulate and account for the decrease of dissolution rate with time. The proposed simple NAPL dissolution models enable the pseudo-equilibrium formulation to be used and therefore the numerical simulations for field application problems can be simplified compared to the non-equilibrium counterpart. With proper choice of empirical parameters, the proposed simple screening models can work as well as more complex dissolution rate correlation models, such as that of Imhoff et al. [Water Resour. Res. 30 (1994) 307-320]. It is found that the proposed models are very good for quantifying non-equilibrium dissolution, which is characterized by tailing of breakthrough curves. The models are especially useful for situations of small residual NAPL saturation, which are typical for many field applications.