现代黄河三角洲上部冲积平原降水入渗补给量研究

大气降水是黄河三角洲地区浅层地下水的主要补给来源。确定降水入渗补给量是地下水资源可持续利用的基础。论文选择现代黄河三角洲上部冲积平原的典型地貌单元安装自记水位计,获得了2004年30 min一次的浅层地下水水位动态数据。结合日降水量资料,应用地下水位动态法,在Matlab中编程计算了2004年次降水入渗补给系数和年平均降水入渗补给系数,探讨了该系数时空变化的特点和主要影响因素,估算了降水补给浅层地下水的水量。主要结论如下:①研究区域内浅层地下水埋深主要在2 m以内变动,属于浅埋类型。②降雨特征决定了该区域次降水入渗补给系数的大小,地表渗透性决定该区域次降水入渗补给系数的时空变异。次降水入渗补给系数随着雨前地下水埋深的增加显示出增大的趋势。③研究区域平均年降水入渗补给系数为0.186。2004年降水补给浅层地下水总量为7.4×108m3,占当年黄河径流量的3.7%。     

邻苯二甲酸酯类化合物正辛醇-水分配系数的QSPR研究

采用PM3算法计算邻苯二甲酸酯类化合物(PAEs)的量子化学参数,应用偏最小二乘(PLS)算法建立了PAEs的正辛醇-水分配系数(K_OW)的定量结构-性质相关(QSPR)模型.模型的结果表明,用量子化学参数建立的QSPR模型相关性显著,具有较好的稳健性和预测能力,因此,利用该模型可对其他PAEs分子的lgK_OW值进行初步预测.模型的结果表明,影响lgK_OW的主要量子化学参数是分子总能量TE、相对分子质量M_r、平均分子极化率α和分子生成热ΔH_f.lgK_OW随着M_r和α的增大而增大,随着TE和ΔH_f的增大而减小.     

Chemical compositions and radiative properties of dust and anthropogenic air masses study in Taipei Basin, Taiwan, during spring of 2004

Asia is one of the major sources of not only mineral dust but also anthropogenic aerosols. Continental air masses associated with the East Asian winter monsoon always contain high contents of mineral dust and anthropogenic species and transported southeastward to Taiwan, which have significant influences on global atmospheric radiation transfer directly by scattering and absorbing solar radiation in each spring. However, few measurements for the long-range transported aerosol and its optical properties were announced in this area, between the Western Pacific and the southeastern coast of Mainland China. The overall objective of this work is to quantify the optical characteristics of different aerosol types in the Eastern Asian. In order to achieve this objective, meteorological parameters, concentrations of PM₁₀ and its soluble species, and optical property of atmospheric scattering coefficients were measured continuously with 1 h time-resolved from 11 February to 7 April 2004 in Taipei Basin (25°00′N, 121°32′E). In this work, the dramatic changes of meteorological parameters such as temperature and winds were used to determine the influenced period of each air mass. Continental, strong continental, marine, and stagnant air masses defined by the back-trajectory analysis and local meteorology were further characterized as long-range transport pollution, dust, clean marine, and local pollution aerosols, respectively, according to the diagnostic ratios. The aerosol mass scattering efficiency of continental pollution, dust, clean marine, and local pollution aerosols were ranged from 1.3 to 1.6, 0.7 to 1.0, 1.4 and 1.4 to 2.3 m² g⁻¹, respectively. Overall, there are two distinct populations of aerosol mass scattering efficiencies, one for an aerosol chemical composition dominated by dust (<1.0 m² g⁻¹) and the other for an aerosol chemical composition dominated by anthropogenic pollutants (1.3–2.3 m² g⁻¹), which were similar to the previous measurements with high degree of temporal resolution.     

利用红山单台研究邢台震区尾波(Qc)衰减特征

利用红山数字地震台记录到的,自2001年3月到2006年7月近震波形资料,采用从i的尾波单次散射模型计算了该台站周围50 km内的尾波Qc值;该范围代表了邢台震区的地下介质的特征,经多地震拟合后得出尾波与频率的衰减关系.并给出震区的尾波Qc值随时间的变化结果,发现在邢台2002年4月22日的M5.0级地震前后尾波Qc值由低升高然后再降低.     

空气环境飘尘测定中的若干问题

空气环境超微飘尘颗粒，不能用一般光学方法测定，必须用X射线小角散射测定，在这种测定中，都认为测量角度越低就越准确，本文指出太低角区的散射光是由于颗粒间的干涉造成的，若不设法消除，会使测定结果偏大，甚至是错误的，同时由于不同粒度的颗粒会散射到不同的角区，所以又想用这个方法去测粒度的分布，这种做法会产生错误的结果，所以测定时应特别注意。     

应用量子化学参数预测多氯有机物的分配性质

应用量子化学AM1算法求得多氯有机物的量化参数，以此来构建定量结构－性质相关（QSPR）模型。该模型能较好地预测多氯有机物的正辛醇／水分配系数（Kow)和沉积物吸附系数（Koc).Kow和Koc平均误差分别为0．31和0．33个对数单位。模型的稳健性检验结果表明：模型中自变量不存在相关关系；残差呈正态分布；对Koc来说，PCB和PCDD／F在构建模型中起核心作用，剔除该类化合物导致模型相关系数明显下降，农药类及氯硝基苯类化合物的存在降低了模型的精度。     

Three-dimensional diffusion of non-sorbing species in porous sandstone: computer simulation based on X-ray microtomography using synchrotron radiation

The diffusion pathways of porous sandstone were examined by a three-dimensional (3-D) imaging technique based on X-ray computed tomography (CT) using the SPring-8 (Super Photon ring-8 GeV, Hyogo, Japan) synchrotron radiation facility. The analysis was undertaken to develop better understanding of the diffusion pathways in natural rock as a key factor in clarifying the detailed mechanism of the diffusion of radionuclides and water molecules through the pore spaces of natural barriers in underground nuclear waste disposal facilities. A cylindrical sample (diameter 4 mm, length 6 mm) of sandstone (porosity 0.14) was imaged to obtain a 3-D image set of 450(3) voxels=2.62(3) mm(3). Through cluster-labeling analysis of the 3-D image set, it was revealed that 89% of the pore space forms a single large pore-cluster responsible for macroscopic diffusive transport, while only 11% of the pore space is made up of isolated pores that are not involved in long-range diffusive transport. Computer simulations of the 3-D diffusion of non-sorbing random walkers in the largest pore cluster were performed to calculate the surface-to-volume ratio of the pore, tortuosity (diffusion coefficient in free space divided by that in porous rock). The results showed that (i) the simulated surface-to-volume ratio is about 60% of the results obtained by conventional pulsed-field-gradient proton nuclear magnetic resonance (NMR) laboratory experiments and (ii) the simulated tortuosity is five to seven times larger than the results of laboratory diffusion experiments using non-sorbing I(-) and Br(-). These discrepancies are probably attributed to the intrinsic sample heterogeneity and limited spatial resolution of the CT system. The permeability was also estimated based on the NMR diffusometry theory using the results of the random walk simulations via the Kozeny-Carman equation. The estimated permeability involved an error of about 20% compared with the permeability measured by the conventional method, suggesting that the diffusometry-based NMR well logging with gradient coils is applicable to the in-situ permeability measurement of strata. The present study demonstrated that X-ray CT using synchrotron radiation is a powerful tool for obtaining 3-D pore structure images without the beam-hardening artifacts inevitable in conventional CT using X-ray tubes.     

激光光散射技术用于Fenton反应中Fe(Ⅲ)水解过程的研究

利用激光光散射技术，研究了不同条件下Ferton反应中Fe(Ⅲ)水解过程的粒径变化，并和一般铁盐体系中Fe(Ⅲ)水解过程进行了比较，结果表明，Fe(Ⅲ)的水解过程中，粒径变化受水解度B^*和铁盐浓度的影响，即B^*值愈大，浓度愈高，体系粒径愈大．并且在相同浓度和水解度B^*的条件下，Fenton反应生成的Fe(Ⅲ)比一般铁盐的水解聚合迅速，形成的粒径大，对采油废水进行处理的实验结果表明，Fenton体系对有机物的吸附去除效果明显优于常规铁盐体系，这可能与Fenton体系的高水解速率有关。     

LAKE CHAMPLAIN BASIN NONPOINT SOURCE PHOSPHORUS ASSESSMENT1

ABSTRACT: Existing land use data were used to estimate nonpoint source phosphorus loads to Lake Champlain (Vermont/New York/Quebec) in a loading function model that combined P concentration coefficients with regional hydrologic data. The estimates were verified against monitored loading data, then used to assess the relative magnitudes of contributions from major land uses and regions of the Lake Champlain Basin. The Basin is comprised of 62 percent forest, 28 percent agricultural land, 3 percent urban land, and 7 percent water. The best-fit model estimated an annual total P load of 457 mt/year, which did not differ significantly from the 458 metric tons/year measured for an average hydrologic year, and accurately predicted loads from major tributaries. Agriculture contributes 66 percent of the annual nonpoint source P load to Lake Champlain; urban and forest land contribute 18 percent and 16 percent, respectively. Because agricultural land contributes most nonpoint source P to Lake Champlain, load reduction effort must deal with agricultural sources. However, because the urban 3 percent of the basin contributes 18 percent of the estimated load, high load reduction efficiencies might be achieved by addressing urban sources. This assessment clearly demonstrated the relationship between land use and P loads in the Lake Champlain Basin, a prerequisite for policy-makers to endorse a P management strategy requiring changes in land use and management.     

神经网络法预测分子总表面积的研究

本文用误差反向传播人工神经网络（ＡＮＮ）预测有机分子的总表面积，提出一组分子描述码（描述分子的分支性、不饱和性和成环性）作为输入的特征参数，预测结果：对于烷烃、烯烃、炔烃、脂环烃、芳烃、卤代烃、醇、醛、酮、酸、酯、胺、硫醇、杂环等１４类有机物平均误差为２．５８％，对于多环芬烃平均误差为２．８８％。根据ＡＮＮ法提供的信息，用统计分析的方法，得到分子总表面积与分子描述码之间的关联式，用它估算分子总表面