Effect of substituents in hydroxyl radical-mediated degradation of azo pyridone dyes: Theoretical approaches on the reaction mechanism

Understanding the degradation behavior of azo dyes in photocatalytic wastewater treatment is of fundamental and practical importance for their application in textile-processing and other coloration industries. In this study, quantum chemistry, as density functional theory, was used to elucidate different degradation pathways of azo pyridone dyes in a hydroxyl radical (HO^?)-initiated photocatalytic system. A series of substituted azo pyridone dyes were synthesized by changing the substituent group in the para position of the benzene moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The effect of dye molecular structure on the photocatalytic degradation reaction mechanism was analyzed and quantification of substituent effects on the thermodynamic and kinetics parameters was performed. Potential energy surface analysis revealed the most susceptible reaction site for the HO^? attack. The calculated reaction barriers are found to be strongly affected by the nature of substituent group with a good correlation using Hammett σ_p constants and experimentally determined reaction rates. The stability of pre-reaction complexes and transition state complexes were analyzed applying the distortion-interaction model. The increased stability of the transition state complexes with the distancing from the substituent group has been established.     

华北山区温度推算模式和应用

利用华北山区气象站观测的温度与其所在纬度、经度和高度，分山区建立宏观地面气温场方程。采用１：２０万地形图，以１０＇经、纬度为步长，判读其高度值，代入已建立好的方程中，经地形项订正，推算华北山区年、月平均温度、年较差和ΣＴ＇≥１０℃，其精度达极显著水平。计算结果使我们对华北山区热量资源有了新的认识，最后求算华北山区的主要水果最优品质种植上限高度。     

pH均值计算述评及验证

pH值是水化学中常用和最重要的检验项目之一，pH均值的计算已引起环境科学工作者的重视，并提出了很多有见地的计算方法。对这些计算方法作一简要归纳和评述，并通过实测进行验证。     

Institutional and cost implications of multi-project baselines

Starting from a theoreticalnotion of capacity building this paperfocuses on the implications ofmulti-project baselines for costs andinstitutions. Availability of data and thelevel of data aggregation determine to alarge extent the cost of derivingmulti-project baselines. For localinstitutions this implies that theircapacity development needs are linked todecisions made on strictness of baselines.The initial higher costs of multi-projectcalculations in the development stage areeasily offset once more projects will usesuch a baseline. This paper argues theseinitial demands are not as high asexpected. Multi-project approaches willreduce transaction costs, especially forsmall-scale projects, will reducevalidation costs and likely reduce humanresource demands in other stages of theproject cycle.     

大理市西洱河环境容量测算初探

从环境容量利用与管理的角度出发，在科学评价环境质量现状的基础上，根据环境功能区的质量目标，通过建立污染源一环境质量的输入响应关系，确定大理市西洱河的环境容量。     

浅谈清洁生产审核中经济效益的核算方法

根据财务管理学理论，结合清洁生产审核工作实际，分析各地清洁生产审核中的经济效益核算方法的差异，提出简洁实用的核算方法。     

产品生命周期环境成本核算实例研究

针对项目层次环境成本核算技术存在的2大缺陷，构建了产品生命周期环境成本核算模型。以红矾钠产品生命周期为例，通过企业的实地调查，以直接计算法、费用当量法进行拟合，得到了红矾钠产品（产量2.28万t/a)生命周期环境成本为，直接计算法：5084.48万元；费用当量法：4941.43万元。分析了环境成本核算对可持续发展决策和管理的作用和意义。     

低中放废物处置场核素经地下水迁移对环境影响预测

研究了我国某民用低中放固体废物处置场核素迁移的途径，对核素在地下水中的迁移进行了详细分析与计算，假定正常释放或一次降水量达到６００ｍｍ，处置场底浸泡一个月，存在６ｍ的包气带时，对该处置场处置的７种核素进行预测，结果表明，包气带是延迟核素迁移的主要屏障，在５００年内，可以使＾６０Ｃｏ＾１３７Ｃｓ＾９０Ｓｒ、＾６３Ｎｉ等核素延迟，其中＾２３９Ｐｕ降低６个月数量级，但不能延迟＾３Ｈ和＾１４Ｃ的迁移，穿过     

利用风场资料研究中距离大气扩散规律

本文提出了一个利用气象观测网取得的测风资料研究中距离大气扩散规律的方法。根据常规的风场观测资料和高空风观测资料,用插值公式计算地面和200m高度的水平轨迹以及水平风纵向分量和横向分量的脉动时间序列,进而用相继两条轨迹的横向距离和风脉动滑动平均法求得各类稳定度下的大气扩散参数。计算结果与同时进行的SF_6示踪实验结果和不同时进行的平衡球双经纬仪定位结果基本符合。     

广西铁山港跨海大桥长度对环境影响的研究

为研究兴建铁山港跨海大桥对水文环境的影响，科学地确定大桥的合理长度，采用二维潮流数值模型对潮位、流场及纳潮量等的变化进行了数值计算，经优化提出推荐方案。