Aspects of formation and degradation of polychlorinated dibenzo-p-dioxins and dibenzofurans

The research progress on the mechanisms of formation and degradation of polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) is reviewed. The primary sources of PCDD/Fs are chemical, thermal, photochemical and enzymatic reactions. Most of the thermal sources result in emissions into air. The studies on the photodegradation and biodegradation offer promise for destruction of PCDD/Fs in environment.     

H~ 和SO_4~(2-)离子对PbO_2电极上ClO_4~-阳极形成过程的影响

用分解极化曲线法研究了Ｈ＋和ＳＯ２－４离子对ＰｂＯ２电极上Ｏ２和ＣｌＯ－４阳极形成过程的影响．分解得到的稳态极化曲线φ～ｌｇｉＣｌＯ－４和φ～ｌｇｉＯ２上均有一电位突跃;在２５℃下前一突跃发生在１．９～２．０Ｖ;后一突跃发生在２．０５～２．１５Ｖ左右．两者在突跃区前后的Ｔａｆｅｌ斜率均接近于２．３０３ＲＴ／βＦ（其中β约为０．５１～０．５４）．在突跃前当［Ｈ＋］减小时,使ＣｌＯ－４形成或氧的析出过程均加速,同时使开始发生电位突跃的电流密度（ｃ．ｄ．）向高ｃ．ｄ．方向推移．在高氯酸溶液中当［Ｈ＋］增加时,对Ｏ２析出过程几乎没有影响,但对突跃后的ＣｌＯ－４阳极形成具有加速作用．ＳＯ２－４对ＣｌＯ－４形成和Ｏ２的析出均有阻滞作用,但对前者的阻滞作用要大于对后者的阻滞作用,因而使ＣｌＯ－４的电流效率下降     

La1+zBa2-zCu3Oy相的形成、固溶度及La对Ba的替代

对Ｌａ１＋ｚＢａ２－ｚＣｕ３Ｏｙ相的形成,固溶度和Ｌａ对Ｂａ的替代进行了系统研究,以期获得制备具有更高Ｔｃ的超导体的最佳条件。表明Ｌａ１＋ｚＢａ２－ｚＣｕ３Ｏｙ在空气中固溶度为０．２０－０．７０,Ｎ２中为０。在空气中合成Ｌａ１＋ｚＢａ２－ｚＣｕ３Ｏｙ时,Ｌａ能替代Ｂａ,但Ｂａ并不能替代Ｌａ,空气和Ｏ２有利于Ｌａ对Ｂａ的替代,但当在Ｎ２中合成Ｌａ１＋ｚＢａ２－ｚＣｕ３Ｏｙ时,Ｌａ对Ｂａ的替代受到抑制     

黄河断流的成因分析

利用２０ 多年的资料,在分析黄河断流发生的频次、历时、河长等现状特点的基础上,从自然地理因素和人类活动因素两个方面综合探讨了黄河断流发生的原因．结果表明：黄河断流是黄河流域人地关系严重失调的综合反映,自然地理因素造成的水量不足是引起黄河断流的客观原因;人类活动的影响,尤其是人类不合理利用黄河水超过了水资源承载能力是引起黄河断流的直接原因     

一种估算金属空位形成能的半经验方法

在Ｂｒｏｏｋｓ模型的基础上,改进了表面能的计算方法,并对ｂｃｃ,ｆｃｃ和ｈｃｐ金属的空位形成能进行了计算,发现计算结果与实验测试平均值间存在线性关系,引入能量修正因子修正后可使两者基本一致,由此发展的半经验方法可对金属空位形成能进行有效预测。     

Chemical components of PM2.5 in different seasons in Harbin,China

The seasonal characteristics of fine particulate matter (PM_2.5) were investigated from October 2020 to April 2021 (spreading fall, winter and spring) in Harbin, a city located in northeast China. The mass concentrations of PM_2.5 in winter were significantly higher than those in fall and spring. Moreover, our results indicated that various aerosol species had obvious seasonality. The proportions of secondary components were higher in winter than other two seasons. In contrast, the ratios of nitrate to sulfate (NO₃⁻/SO₄²⁻) showed lower levels in winter, which was because both the ratios of nitrogen dioxide to sulfur dioxide (NO₂/SO₂) and the ratios of nitrogen oxidation ratio to sulfur oxidation ratio (NOR/SOR) exhibited lower values in winter than in fall and spring. With PM_2.5 increased, the NO₃⁻/SO₄²⁻ ratios showed increasing trends in all three seasons, which was mainly attributed to the increase of NOR/SOR ratios in fall and spring, and the increase of both NO₂/SO₂ and NOR/SOR ratios in winter. This result highlighted that nitrate was more important than sulfate as a driver for the growth of PM_2.5 during the period of heavy air pollution. Additionally, the sources of organic aerosol (OA) in different seasons were also distinctly different. Overall, the sum of biomass burning OA (BBOA) and secondary OA (SOA) contributed >70% of OA in three seasons. The fractional contributions of BBOA to total OA, notably, exhibited higher levels in fall and spring, because of intensive open agricultural fires. The SOA fractions in OA were larger in winter, likely due to higher relative humidity which facilitated the secondary formation. A large increase in the proportions of BBOA was observed during polluted days in fall and spring compared to clean days. In comparison, during heavily-polluted periods, secondary formation made a dominant contribution to organic matter in winter.     

赶酸对微波消解-氢化物发生-原子荧光法测定谷物中砷元素的影响

在利用氢化物发生-原子荧光分测定谷物类样品中砷元素时,硫脲-抗坏血酸的还原效果会受到硝酸含量的影响,试液中硝酸含量过高,会与硫脲-抗坏血酸溶液发生氧化还原反应,降低其还原效率。本研究通过对赶酸时间和赶酸温度进行试验,获得最佳的赶酸条件,结合微波消解技术,利用氢化物发生-原子荧光光谱法测定谷物中的微量砷,结果表明,谷物中砷浓度与荧光强度呈线性关系,线性方程为 y=0.0028x-0.1728,线性相关系数R2=0.9993,检出限为1.72ng/g。 通过对9份样品进行检测,其相对标准偏差RSD在4.32-7.59%之间,其准确度相对误差RE均小于±6.50%。经多次检测证实该方法较稳定,可用于谷物类样品中砷元素的快速测定。     

Atom equivalents for converting DFT energies calculated on molecular mechanics structures to formation enthalpies

New atom equivalents are introduced to convert BP/DN**//MMFF energies into formation enthalpies. As a result of using molecular mechanics structures, poor results are obtained for compounds outside the scope of the force field, such as those bearing  NF₂ groups or some nitrogenous systems. Notwithstanding these limitations, present procedures compare well with the results of previous atom equivalents schemes. Indeed, rms deviations from experiment are below 9 kJ/mol for hydrocarbons, and close to 16 kJ/mol for a variety of compounds reasonably well described by MMFF. The explicit inclusion of thermal and vibrational contributions, using calculated frequencies, does not improve the results. This study demonstrates that cost‐effective approaches to formation enthalpies may be developed on the basis of a combination of DFT with a suitable molecular mechanics force field. © 2000 John Wiley & Sons, Inc. J Comput Chem 21: 367–379, 2000     

乌尔逊凹陷南屯组二段层序特征及沉积相研究

通过对大量岩心、录井和测井以及地震资料研究,在前人研究结果的基础上(南屯组分为南一段和南二段),将乌尔逊凹陷南屯组二段进一步划分为三个四级层序(SQ1、SQ2、SQ3)。研究得出工区内不同时期的沉积特征主要受构造演化及沉积物供应的控制:SQ1沉积时期,乌尔逊凹陷南部整体开始下沉,湖盆面积迅速扩大,主要发育扇三角洲、辫状河三角洲沉积体系,同时发育滨、浅湖相沉积,半深湖-深湖和湖底扇沉积;SQ2沉积时期湖平面进一步上升,沉积特征与SQ1沉积时期相似;SQ3沉积时期,控陷断层活动减弱,湖面减小,扇三角洲发育规模减小,辫状河三角洲沉积体系发育规模较大。     

吉林油田花敖泡地区青山口组青一段油藏特征分析

为搞清吉林油田花敖泡地区青一段储量分布情况,为勘探部署工作提供更好的理念依据。通过对花敖泡地区沉积特征、砂岩分布特征、成藏条件、油水分布规律及油气成藏规律的分析,确定了该区砂体及油水分布情况、油藏类型。花敖泡地区在青一段沉积时期主要受西南部沉积体系控制,砂体主要分布在Ⅱ—Ⅳ砂组。油层主要分布于Ⅲ、Ⅳ砂组。本区存在两种油藏,即岩性油藏和断层-岩性油藏。