Mechanism and kinetic properties of NO3-initiated atmospheric degradation of DDT

In this article, the NO3 radical-initiated atmospheric oxidation degradation of DDT was theoretically investigated using molecular orbital theory calculations. All the calculations of intermediates, transition states and products were performed at the MPWB1K/6-311+G(3df,2p)//MPWB1K/6-31+G(d,p) level of theory. Several energetically favorable reaction pathways were revealed. The formation mechanisms of secondary pollutants were presented and discussed. The rate constants were deduced over the temperature range of 273–333 K using canonical variational transition-state(CVT) theory with the small curvature tunneling(SCT) method. Our study shows that H abstraction from the alkyl group and NO3 addition to the C3 atom of the benzene ring are the dominant reaction pathways. The rate-temperature formula of the overall rate constants is k(T)(DDT+NO3) =(7.21 × 10.15)exp(–153.81/T) cm3/(mol·sec) over the possible atmospheric temperature range of 273–333 K. The atmospheric lifetime of DDT determined by NO3 radical is about 52.5 days, which indicates that it can be degraded in the gas phase within several months.     

Psychological impact of amniocentesis on low-risk women

The study comprised 85 young (25–34 years old) women who underwent genetic amniocentesis, 80 comparable young women who had an ultrasoundscan at the same gestational age and 74 women (35–40 years old) who had amniocentesis. The State-Trait Anxiety Inventory and Visual Analogue Scales concerning anxiety and worry were used on four occasions to evaluate psychological changes during pregnancy. The anxiety level in the younger women decreased after amniocentesis and a further decrease was observed after the results were communicated to them. However, similar changes were seen in the group of younger women after ultrasonography, and there was no difference in anxiety level between the two groups of younger women in the 16th or in the 35th week of pregnancy. Thus, in younger women at low genetic risk amniocentesis was neither anxiety-relieving, nor anxiety-creating. The level of anxiety before amniocentesis was not higher in the older than in the younger women having amniocentesis. However, in the younger women a significant decrease in anxiety was seen as soon as amniocentesis had been performed, while in the older women this decrease was delayed until after the results were known.     

Effects of fungicides triadimefon and propiconazole on soil bacterial communities

The impact of fungicides triadimefon and propiconazole on soil bacterial populations from a strawberry field was investigated. Two fungicides were applied to the soil at concentrations of 10 mg/kg or 100 mg/kg with soil water contents 20.2% (fresh soil water content) or 26.0% (field capacity). Changes in bacterial communities were assessed using DNA extraction, polymerase chain reaction (PCR) amplification of the 16S rDNA and denaturing gradient gel electrophoresis (DGGE). High performance liquid chromatography (HPLC) was utilized to detect the residue of fungicides in soils. The results showed that propiconazole was more persistent than triadimefon in soils, and the two soil water contents did not cause significant differences in dissipation rates between the two fungicides. A high concentration of propiconazole could inhibit the existence of soil microbes while one of triadimefon might induce the microbial population in the first stage. From unweighted pair-group method using arithmetic averages (UPGMA) dendrograms, the effect of triadimefon and propiconazole at the two applied concentrations on a soil bacterial community could be long term. After triadimefon was applied for 60 days and propiconazole for 75 days, the compositions of microbial communities were not recovered. From the viewpoint of environmental protection, it was of significant importance to pay more attention not only to the residues of pesticide but also to the change in soil microbial communities.     

Kinetics of endosulfan sorption on to wood charcoal

Abstract

A part of the research work conducted to evaluate the efficiency of a locally available low cost wood charcoal in removing endosulfan, an organochlorine insecticide, has been presented here in this paper. In the batch experiments conducted at 1 mg/I initial concentration of endosulfan, it was found that wood charcoal could remove endosulfan from water up to 95%. Kinetic profiles were developed for various conditions and they followed second order kinetic reactions. Adsorption equilibrium time was determined by two different approaches namely rough estimate and 2% slope criteria. The equilibrium time was found to be 5 hrs. Forward, reverse, and overall reaction rate constants were determined by approximating the kinetic data to the first order reversible kinetic model. Rate constants increased with increasing initial concentration of endosulfan. Rate limiting process was determined by using kinetics data and further confirmed by the multiple interruption test. Pore and film diffusion coefficients were determined from the half time equations. Film diffusion appeared to be the rate limiting which was further supported by the multiple interruption test.     

水化深度处理渗滤液尾水中的有机物

利用水泥的水化过程易受有机物影响的特点,采用硅酸盐水泥深度处理了垃圾渗滤液膜生物反应器(MBR)工艺出水,考察了不同因素,如投加量、初始pH、反应时间及振荡速率等对于渗滤液尾水中有机物的去除效果以及最佳工艺条件,并分析了渗滤液尾水中有机物的去除机理。结果表明,水化过程对渗滤液尾水中的有机物去除性能良好,且对不同有机物具有一定的选择性,尤其对具有近紫外区(200～400 nm)吸收峰特征的有机物去除效果更佳,同时发现,当投加量为50 g/L、pH=8.3(原渗滤液pH)、反应时间为24 h和振荡速度为200 r/min时,去除效果最佳,其COD、TOC和UV254的平均去除率分别达到55.6%、62.1%和68.8%。     

基于SIMULINK的硝化反应动力学模型的仿真

利用MATLAB/SIMULINK对序批式生物膜反应器内的氨氧化细菌与亚硝酸盐氧化菌的生化反应进行仿真预测。模型的验证结果表明,适当的选择模型中的溶解氧浓度、碱度以及温度3种参数,SIMULINK仿真动力学模型能够比较准确地对氨氧化细菌与亚硝酸氧化细菌处理生活污水的过程进行仿真和预测.NH4+-N、NO2--N和NO3--N 3种基质仿真值的绝对平均误差最大为15.88,最小为1.13;NH4+-N、NO2--N和NO3--N的Nash.Suttcliffe模拟效率系数分别为99.36%、98.64%和99.25%;此外,还对SIMULINK仿真动力学模型中的溶解氧浓度、碱度以及温度进行了灵敏度分析,结果表明,温度的灵敏度最大、溶解氧次之、碱度灵敏度相对最小。     

Modelling the biphasic sorption of simazine,imidacloprid, and boscalid in water/soil systems

The sorption kinetics of simazine (6-chloro-N,N′-diethyl-1,3,5-triazine-2,4-diamine), imidacloprid (1-(6-chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylideneamine), and boscalid (2-chloro-N-(4′-chlorobiphenyl-2-yl)nicotinamide), three pesticides of wide use in agriculture, was determined in five different water/soil systems over a time interval from the initial few seconds to about 1 month. In all the experiments, sorption kinetics showed a biphasic pattern characterized by an initial, relatively short phase with a high sorption rate and a later phase with much a lower sorption rate. Initial sorption capacity increased with soil organic carbon content and with sorbate hydrophobicity. We postulate that the first phase of the process involves a fast second-order sorption reaction on superficial sites of soil particles, whereas the second phase depends on diffusion-controlled migration to internal binding sites. A kinetic equation based on this hybrid model accurately fitted all data sets. Less satisfactory results were obtained employing the pseudo-first order, pseudo-second order, Elovich, two site non-equilibrium, or Weber-Morris equation. The superior performance of the hybrid model for describing boscalid sorption probably reflects the high hydrophobic character and consequent low diffusion rates of this compound. The accuracy of modelling was in any case strongly dependent on the time interval considered.     

零价纳米铁吸附去除水中六价铬的研究

利用液相还原法制备的零价纳米铁(nZVI)进行了去除水中Cr(Ⅵ)的实验研究.结果表明,nZVI对Cr的去除效果明显优于还原铁粉和粉末活性碳;pH值越小、初始Cr浓度越低、nZVI放置时间越短及投加量越大均有利于水中Cr(Ⅵ)的去除,最佳去除率近100%;反应动力学拟合结果表明,nZVI去除六价铬符合准二级动力学模型;反应后nZVI颗粒的扫描电镜及电子能谱结果显示Cr占12.02%(wt),结合对反应溶液中Cr(Ⅵ)和Cr(Ⅲ)分析,说明吸附、还原与共沉淀可能是nZVI去除水中六价铬的主要机理.     

2种催化剂在甲苯燃烧反应中的催化性能

利用甲苯有机废气为指标反应,在常压连续流动反应装置上研究了贵金属和非贵金属峰窝陶瓷整体催化剂的催化性能。考察了甲苯浓度、氧含量、反应空速及床层线速度对催化剂的影响及其耐高温,表面不同条件下贵金属催化剂均优于非贵金属催化剂,催化剂经６００℃处理３ｈ后,非贵金属催化剂上甲苯有机废气的起燃温度比贵金属催化剂高５０℃,当催化剂经９００℃处理３ｈ后,甲苯有机废气在贵金属催化剂上的起燃温度与６００℃处理催化剂     

水溶液中典型混凝剂与分散染料的直接反应机理

为了深入揭示分散染料的混凝去除机理,选择AlCl₃、FeCl₃、CaCl₂作为混凝剂,分散红玉S-2GFL、分散黄棕S-2RFL、分散蓝BBLS作为去除对象,在不投加其他任何颗粒物的条件下,通过测定染料粒径、Zeta电位和改变混凝剂投加顺序等方式,探究了分散染料与混凝剂的直接反应机理。结果表明：3种混凝剂均可使染料颗粒表面电位接近0 mV,此时AlCl₃和FeCl₃对染料的去除率超过60%,但 CaCl₂对染料去除率仅为15%左右,说明此体系下电中和不是染料被直接混凝沉淀去除的单一主导内因;投加3种混凝剂后染料粒径均明显增大,说明混凝剂水解产物与分散染料结合是导致染料被去除的重要前提之一;通过改变混凝剂投加顺序发现,对于同种染料,先投加混凝剂的去除率远低于后投加混凝剂的去除率,说明混凝剂水解终产物的物理吸附不应是染料与混凝剂结合的主因;沉淀物的傅里叶红外图谱显示,在580 cm⁻¹和475 cm⁻¹处分别检测到Al—O和Fe—O的特征峰,且XRD结果进一步显示AlCl₃、FeCl₃与染料结合形成了新的共聚物,这表明选用的无机混凝剂去除这3种分散染料的主导机理应是特定的化学结合作用。以上研究结果对丰富混凝去除相关染料的作用机理和开发相关复合药剂具有一定的理论指导意义。