一种紫外-可见光谱检测水质COD预测模型优化方法

针对紫外-可见光谱法检测水质COD预测模型的精度低和收敛速度慢等问题,研究了一种基于粒子群算法联合最小二乘支持向量机(PSO_LSSVM)的水质检测COD预测模型优化方法,并引入主元分析(PCA)算法对模型输入光谱数据进行降维预处理,借以提高模型的收敛速度.结果表明,利用粒子群(PSO)算法收敛速度快和全局优化能力,优化了最小二乘支持向量机(LSSVM)模型的惩罚因子和核函数参数,避免了人为选择参数的盲目性,克服了传统LSSVM预测模型的精度较低、稳健性较差等缺点.通过以收敛时间、预测平均相对误差(MRE)和均方根误差(RMSE)为评价标准进行评估,输入样本经过PCA降维预处理的PSO_LSSVM模型的预测能力和输入样本未经过降维预处理的LSSVM模型与PSO_LSSVM模型进行了比较分析,输入样本经过PCA降维预处理的PSO_LSSVM模型预测效果最优,且此算法使用C语言实现,易于移植,这为紫外-可见光谱水质COD在线、实时性检测奠定了基础.     

相移吸收二元性算法用于X射线混合衬度定量显微CT的可行性研究

本文采用相移吸收二元性（PAD）相位恢复算法来实现混合衬度样品内部不同密度组分的定量成像,采用数字模拟和实验研究验证该方法的可行性.模拟结果表明,对于三种不同材料其重构误差均小于1%,且误差值随材料折射率的增大而减小.利用上海光源X射线成像线站开展了实验研究,结果表明用单距PAD相位恢复算法可获取样品的定量信息.与模拟结果相比,实验中的重构精度相对较低,环状伪影可能是影响精度的主要原因.模拟和实验研究过程中,均只采用了一组单距投影数据.可以认为,相移吸收二元性算法可用于混合衬度样品的定量信息分析研究.由于剂量相对较低,应可适合于软组织和骨骼同时存在时生物医学样品的定量相衬CT研究.     

三峡库区典型农业小流域土壤溶解性有机质的紫外-可见及荧光特征

以三峡库区典型农业小流域土壤溶解性有机质(DOM)为研究对象,利用紫外-可见和荧光光谱,分析和讨论了不同土地利用类型(包括林地、田地、菜地和民用地)对土壤DOM地化特征的影响.结果表明,不同土地利用条件下DOM性质差异明显,以林地DOM的芳香性程度较高,腐殖化特征最强,其次为田地;尽管居民用地和菜地溶解性有机碳(DOC)含量高(均值分别为0.81 g·kg-1和0.89 g·kg-1),但是芳香化程度低,DOM中非生色组分对高DOC含量的贡献明显.所有样本荧光指数(FI)介于自生源特征(FI=1.9)和陆源特征(FI=1.4)之间,自生源(类蛋白组分)和异生源(类腐殖组分)对DOM均有贡献.大部分样本r(T/C)都大于2.0,说明该农业小流域土壤DOM受外来因素尤其是人类活动影响较大,尤以菜地为代表.另外,不同特征光谱参数对不同土地利用条件下DOM结构和性质差异性的灵敏程度不同,光谱斜率比值(SR)和腐殖化指数(HIX)不能反映DOM地化特征的差异性,因此单一光谱指标并不能全面提供DOM的特征信息,建议两种光谱分析方法联用.     

EDS analysis of Portland ash cement degradation in an aggressive environment

The behaviour of Portland cement with and without 30% fly ash addition in aggressive solutions was studied. This paper considers the sulphate corrosion of the hardened cement paste. The cement paste test samples were prepared, cured in water for 21 day and then exposed to the influence of aggressive environment (10% (NH₄SO₄ solution). The measurements of several properties were carried out and the results were analyzed.

The image of the surface composition and morphology of the cement paste test samples was made by scanning electron microscopy (SEM). Concentration gradient of sulphate ions in cement paste depth was obtained by energy‐dispersive analysis (EDS).     

Spatial and temporal features of density-dependent contaminant transport: Experimental investigation and numerical modeling

We investigate the spatial and temporal features of variable-density contaminant plumes migration in porous materials. Our analysis is supported by novel experimental results concerning concentration profiles inside a vertical column setup that has been conceived at CEA to this aim. The experimental method relies on X-ray spectrometry, which allows determining solute profiles as a function of time at several positions along the column. The salient outcomes of the measurements are elucidated, with focus on miscible fluids in homogeneous saturated media. The role of the injected solution molarity is evidenced. As molarity increases, the solutes plume transport progressively deviates from the usual Fickian behavior, and pollutants distribution becomes skewed in the direction dictated by gravity. By resorting to a finite elements approach, we numerically solve the nonlinear equations that rule the pollutants migration: a good agreement is found between the simulated profiles and the experimental data. At high molarity, a strong dependence on initial conditions is found. Finally, we qualitatively explore the (unstable) interfacial dynamics between the dense contaminant plume and the lighter resident fluid that saturates the column, and detail its evolution for finite-duration contaminant injections.     

Effect of natural organic matter and green microalga on carboxyl-polyethylene glycol coated CdSe/ZnS quantum dots stability and transformations under freshwater conditions

The influence of pH, ionic strength, presence of humic or alginic acids, extracellular polymeric substances (EPS), or freshwater microalga Chlorella kesslerii on the stability and transformation of carboxyl-PEG-CdSe/ZnS core/shell quantum dots (QDs) in terms of number, hydrodynamic size and fluorescence of individual particles, was studied by fluorescence correlation spectroscopy. Obtained results demonstrated that QDs form stable dispersions at nanomolar concentrations under conditions typical for freshwaters. The presence of 5 or 15 mg C L⁻¹ of humic acid or 50 mg C L⁻¹ EPS did not significantly affect these parameters. In contrast, 5 or 50 mg C L⁻¹ alginate at ionic strength of 10 mM shifted the hydrodynamic radius toward larger values, suggesting a possible capture of QDs by the linear alginate chains. The addition of microalga to the QD dispersions resulted in a slight reduction of the number of QDs and a significant decline in the fluorescence of individual QDs.     

Determination of heavy metal pollution with environmental physicochemical parameters in waste water of Kocabas Stream (Biga, Canakkale, Turkey) by ICP-AES

Waste water pollution of industrial areas can answer for the serious consequences of one of the most important environmental threats to the future. In this study, inductively coupled plasma-atomic emission spectrometry method (ICP-AES) is proposed to determine heavy metals (Pb, Cu, Cd, Cr, Zn, Al, Fe, Ni, Co, Mn) and major elements (Ca, Mg) in waste water of Kocabas Stream. The concentration of metals in the waste water samples taken from 9 different stations (St.) in Biga-Kocabas Stream in November 2004 (autumn period) were determined after simple pretreatment of samples by the proposed ICP-AES method. An analysis of a given sample is completed in about 15 min for ICP-AES the method. The results of heavy metals concentrations in waste water were found between 0.00001–77.69610 mg l⁻¹ by the ICP-AES technique. The concentrations of Pb, Cd, Cu, Zn, Cr, Al, Fe, Mn, Ni, Co, Mg and Ca 0.00001 (St.3,6,7) – 0.0087 mg l⁻¹ (St.9), 0.00001 (St.4-7) – 0.0020 mg l⁻¹ (St.8), 0.00001 (St.1,3-7,9) – 0.0041 mg l⁻¹ (St.2), 0.0620 (St.2) – 0.2080 mg l⁻¹ (St.3), 0.0082 (St.6) – 0.2290 mg l⁻¹ (St.8), 0.3580 (St.2) – 1.7400 mg l⁻¹ (St.3), 0.2240 (St.1) – 0.6790 mg l⁻¹ (St.3), 0.0080 (St.1) – 1.5840 mg l⁻¹ (St.3), 0.0170 (St.3) – 0.0640 mg l⁻¹ (St.2), 0.0010 (St.1,4,5,8) – 0.0080 mg l⁻¹ (St.3), 5.0640 (St.9) – 5.2140 mg l⁻¹ (St.1) and 43.3600 (St.2) – 77.6961 mg l⁻¹ (St.9), respectively. Also we measured environmental physicochemical parameters such as temperature, salinity, specific conductivity, total dissolved solid (TDS), pH, oxidation and reduction potential (ORP), and dissolved oxygen (DO) in the waste water at sampling stations.     

Biomonitoring of Environmental Pollution Using Dielectric Properties of Tree Leaves

In the present work, dielectric measurements were performed in plane-tree leaves collected from a polluted urban site and a natural unpolluted one, in order to investigate the sensitivity of dielectric relaxation spectroscopy to the detection of heavy metals pollution. Although heavy metal concentrations at the urban site are not found considerable higher than those at the natural site, the two samples exhibit different features in the recorded dielectric spectra. Evaluation of experimental data suggests that the dielectric modulus (M*(ω)) representation is the most suitable for accenting the different dielectric relaxation processes of each sample. The imaginary part of dielectric modulus M″(ω) was fitted using a three-term Havriliak–Negami relaxation function, with fitting parameters, which depend on the concentrations of heavy metals. The lower frequency relaxation process is attributed to the ionic conductivity of the samples, while the two others are due to different charge transport mechanisms of α-response. The investigation of plane-tree leaves in terms of their dielectric properties can be considered as a promising biomonitoring for environmental pollution.     

Measurement Of Nutrients In Green House Soil With Laser Induced Breakdown Spectroscopy

Laser-induced breakdown spectroscopy (LIBS) has been applied for the determination of nutrients in the green house soil samples. We determined appropriate spectral signatures of vital nutrients and calibrated the method to measure the nutrients in a naturally fertilized plot, cultivated with tomato and cucumber plants. From the calibration curves we predicted the concentrations of important nutrients such as Ca, K, P, Mg, Fe, S, Ni and Ba in the soil. Our measurements proved that the LIBS method rapidly and efficiently measures soil nutrients with excellent detection limits of 12, 9, 7, 9, 7, 10, 8 and 12~mg/kg for Ca, K, P, Mg, Fe, S, Ni and Ba respectively with a precision of 2%, The unique features of LIBS for rapid sample analysis demonstrated by this study suggests that this method offers promise for precision measurements of soil nutrients as compared to conventional methods in short span of time.     

X射线荧光光谱法测定土壤样品中铅的不确定度评定

用实例对X射线荧光光谱法测定土壤样品中铅的不确定度进行了评定.测量结果的不确定度由仪器综合稳定性、制样、标准物质、回归工作曲线、重复测量等所引入的不确定度分量组成.在对各个不确定度分量进行量化的基础上,通过合成得到测量结果的标准不确定度,再乘以95%置信概率下的扩展因子2,得到测量结果的扩展不确定度.