The electron density distribution in pyridinium and bipyridylium compounds and its relevance to their adsorption by expanding lattice clays

Abstract

Charge distributions in 1, 1'‐ethylene‐2, 2'‐bipyridylium (diquat), 1,1'‐dimethyl‐4,4'‐bipyridylium (paraquat) and 1‐methylpyridinium organocations were calculated by a Complete Neglect of Differential Overlap semi‐empirical quantum mechanical procedure. The data show that the positive charges in the organocations are distributed around the molecules and are greatest in the positions ortho and para to the heterocyclic nitrogen atoms. Earlier interpretations of the mechanisms of adsorption of paraquat and diquat by soils and clays assumed that the charges were located in the heterocyclic nitrogen atoms. Here some consideration is given to the influence of the charge delocalizations on the processes of adsorption by montmorillonite and vermiculite clay preparations.     

Quantification of the interactions between Ca,Hg and extracellular polymeric substances (EPS) of sludge

The interactions between metals (Ca²⁺ and Hg²⁺) and extracellular polymeric substances (EPS) extracted from the aerobic and anaerobic sludge in wastewater treatment reactors were investigated using a combination of zeta potential measurement and 3-dimensional excitation–emission matrix (EEM) fluorescence spectroscopy with parallel factor (PARAFAC) analysis. Results show that Ca²⁺ had no substantial effects on the EEM fluorescence spectra of the EPS, but their zeta potentials increased with the increasing Ca²⁺ dosage. However, Hg²⁺ had a significant effect on the EEM fluorescence spectra of the EPS, while their zeta potentials seemed not to be affected by the dose of Hg²⁺. The interactions between Hg²⁺ and EPS were elucidated using the fluorescence quenching with PARAFAC analysis, while the interactions between Ca²⁺ and EPS were evaluated by the zeta potential technique. The binding constants for Hg²⁺ and EPS were two orders of magnitude higher than those for Ca²⁺ and EPS, suggesting that the binding mechanisms between Ca²⁺ and EPS were different from those between Hg²⁺ and EPS. The results might be useful for understanding the roles of EPS in bacterial self-protection against heavy metals and the aggregate formation mechanisms through ionic bridging interactions.     

改良型AO法组合工艺中有机物的三维荧光分析

采用三维荧光(EEM)光谱技术,对上海竹园第二污水处理厂改良型AO法组合工艺运行过程中的各种溶解性有机物(DOM)进行分析,并对比研究传统好氧活性污泥法曝气池出水和A/O脱氮工艺硝化池出水DOM的EEM光谱的迁移变化特性.结果表明,各种DOM中主要的荧光物质有类蛋白质(荧光峰A和B)及类腐殖质(荧光峰C),经改良型AO法组合工艺处理后,荧光峰的强度降低了14％～60％,同时类蛋白质和腐殖质的结构也发生了变化;腐殖酸溯源表明DOM中的腐殖酸以微生物代谢产生的带有荧光基团的腐殖酸类为主.     

动态污水处理过程的多模型动态矩阵控制

针对活性污泥法污水处理系统的强耦合和动态变化特性,提出一种用于前置反硝化脱氮工艺的多模型动态矩阵(DMC)解耦控制方法;通过K-均值聚类分析法对外界入水中氨氮浓度进行聚类,获得以聚类中心为入水氨氮浓度的静态模型集合,分别设计线性DMC解耦控制器;再以当前时刻外界进水氨氮浓度和聚类中心为基本元素,构造切换函数,实现多模型切换。将该方法应用于活性污泥1号模型(ASM1)中,获得了较好的动态仿真效果。     

初始pH值对磷酸盐还原除磷的影响研究

以超高盐（盐度7％,以NaCI计）高磷榨菜废水为研究对象,考察了初始pH值对磷酸盐还原进程的影响。实验结果表明,初始pH值对磷酸盐还原除磷效能影响显著。初始pH为8时,磷酸盐还原除磷率达到最高,平均值为65．45％。同时,初始pH值还会影响污泥中活性磷的形成以及基体对磷化氢的吸附。此外,偏碱性有利于磷形态转化,且BD-P（主要是一些可溶性的、还原性强的、带有Fe-P化合物的集合）含量的高低调控着生物膜内间隙水中溶解态可反应性磷（DRP）和可还原水溶态磷（RSP）含量,最终决定着磷酸盐还原进程。随着初始pH值的升高,污泥对磷化氢的吸附能力降低导致污泥中结合态磷化氢（MBP）含量不断减少。     

Water-soluble matter in PM2.5 in a coastal city over China: Chemical components, optical properties, and source analysis

Although marine and terrestrial emissions simultaneously affect the formation of atmospheric fine particles in coastal areas, knowledge on the optical properties and sources of water-soluble matter in these areas is still scarce. In this work, taking Qingdao, China as a typical coastal location, the chemical composition of PM_2.5 during winter 2019 was analyzed.Excitation-emission matrix fluorescence spectroscopy was combined with parallel factor analysis model to explain the component...     

考虑纵横弯曲的空间杆系有限元计算

在普通刚架有限元计算模型的基础上 ,推导出了考虑空间纵横弯曲有限元的单元刚度矩阵和形函数 ,单元刚度矩阵和形函数考虑了轴力的影响。并以此编制了“kjgj”有限元软件 ,软件考虑了轴力引起的二阶效应。用平面和空间算例进行验证 ,单根杆件只剖分一个单元计算得到的精度可以达到商业软件剖分多个单元达到的精度。     

Pluralism,The Ethical Matrix,and Coming to Conclusions

The ethical matrix approach was developed by Prof Ben Mepham and his colleagues at the University of Nottingham in the early 1990s. Since then the approach has received increasing attention and has been used by several researchers in different projects related to assessing ethical impacts of different food production technologies and other policy options of societal concern. The ethical matrix is sometimes understood simply as a checklist of ethical concerns, but might also be seen as a guide to coming to conclusions on moral questions. The problem I discuss in this paper relates to how using the ethical matrix method as a decision guide can be combined with respecting pluralism. The aim of the paper is to suggest a framework making it possible to – at the same time – enhance public justification of judgments and respect pluralism. I argue that pluralism is fundamental to the ethical matrix approach; I distinguish between intuitionist principled pluralism and societal value pluralism; and I show how both kinds of pluralism imply restrictions on how conclusions can be made. No substantive moral decision principles can be allowed. Still, I argue, decision principles of a more epistemological or procedural character can be acceptable even within pluralism. The pragmatist principle of inquiry is defended as an account of moral problem solving compatible with both principled pluralism and value pluralism. When an ethical matrix is used within such a participatory inquiry process substantive conclusions can be drawn.     

多因素耦合条件下硫化矿自燃神经网络动态预测模型研究

硫化矿石自燃是多种因素、多场耦合综合作用的结果,是一典型的非线性问题。笔者应用人工神经网络技术,以Matlab软件为平台,通过现场调查和理论分析,建立了矿石含硫量、通风强度、环境温度3因素与硫化矿石自燃之间的预测模型;通过数据样本学习与部分现场监测数据相结合进行模拟,研究表明预测数据与实测结果基本吻合,误差控制在10%以内,取得了较好的效果。该研究为预防硫化矿石自燃提供一个新的思路和方法,具有一定的理论意义和应用价值。