偏二甲肼超临界水氧化动力学研究

利用一套连续式超临界水氧化实验装置,以H2O2为氧化剂,在480～550℃、30 MPa条件下,进行了超临界水氧化偏二甲肼实验,建立了COD去除宏观动力学方程.实验结果表明,在超临界条件下,偏二甲肼氧化分解很快,当温度为550℃、压力为30 MPa、停留时间为5.8 s时,COD去除率可高达93.5%以上.偏二甲肼的去除率随反应温度升高、停留时间延长而提高.在H2O2过量50%的情况下,偏二甲肼氧化分解反应对有机物为1.13级,对氧气为0.29级;反应活化能Ea为44.65 kJ·mol-1;指前因子A为4.93×103.     

连续流动分析法测定降水中铵盐的可行性研究

铵盐是降水监测的重要指标之一,它对降水中的酸性物质具有中和作用。将连续流动分析法应用于降水中铵盐的检测,并对该方法的检出限、精密度、加标回收率等一系列实验室质量要求进行了测定;在此基础上,用连续流动分析法和国家标准分析方法进行比对试验。对测试结果进行数理统计分析后证明,连续流动分析法与国标方法无显著性差异。     

Identification of key factors governing chemistry in groundwater near the water course recharged by reclaimed water at Miyun County, Northern China

Reclaimed water was successfully used to recover the dry Chaobai River in Northern China, but groundwater may be polluted. To ensure groundwater protection, it is therefore critical to identify the governing factors of groundwater chemistry. Samples of reclaimed water, river and groundwater were collected monthly at Chaobai River from January to September in 2010. Fifteen water parameters were analyzed. Two kinds of reclaimed water were different in type (Na-Ca-Mg-Cl-HCO3 or Na-Ca-Cl-HCO3 ) and concentration of nitrogen. The ionic concentration and type in river were similar to reclaimed water. Some shallow wells near the river bed had the same type (Na-Ca-Mg-Cl-HCO3 ) and high concentration as reclaimed water, but others were consistent with the deep wells (Ca-Mg-HCO3 ). Using cluster analysis, the 9 months were divided into two periods (dry and wet seasons), and all samples were grouped into several spatial clusters, indicating different controlling mechanisms. Principal component analysis and conventional ionic plots showed that calcium, magnesium and bicarbonate were controlled by water-rock interaction in all deep and some shallow wells. This included the dissolution of calcite and carbonate weathering. Sodium, potassium, chloride and sulfate in river and some shallow wells recharged by river were governed by evaporation crystallization and mixing of reclaimed water. But groundwater chemistry was not controlled by precipitation. During the infiltration of reclaimed water, cation exchange took place between (sodium, potassium) and (calcium, magnesium). Nitrification and denitrification both happened in most shallow groundwater, but only denitrification in deep groundwater.     

天山乌鲁木齐河源1号冰川区气溶胶水溶性离子变化特征及来源分析

基于2007年4、8和10月这3个时段不同季节的野外考察取样和实验室分析测试,探讨了天山乌鲁木齐河源1号冰川区气溶胶样品中水溶性离子成分的浓度组成、变化特征及其可能来源.结果表明,气溶胶水溶性离子平均浓度为2.76μg·m-3,化学组成以Ca2+、NO-3和SO2-4为主.Ca2+、SO2-4、NH+4、Na+、Mg2+、Cl-在春、夏、秋这3个季节的变化趋势与总离子浓度的变化趋势一致,均为夏季最高、秋季次之、春季最低,而K+与NO-3却呈现出秋季最高、夏季和春季浓度次之的季节变化特征.分析认为,气溶胶中Ca2+、Na+、Mg2+、K+和Cl-主要可能来自陆源矿物;而NO-3和NH+4则很大程度上以人为源为主.并且发现,SO2-4可能同时受陆地源与人类活动来源的影响.     

人工神经网络在化学和环境科学中应用的若干问题

讨论了人工神经网络中最常用的多层前馈网络 ( BP网络 )及误差反向传播算法应用于化学和环境科学时要考虑的几个问题 :网络的输入与数据的归一化 ;隐含层数、隐含层节数和学习速率 ;训练集与监控集 ;网络误差 ;初始权重     

Reassessment of the Ocean-To-Atmosphere Flux of Carbon Monoxide

Carbon monoxide (CO) in the surface sea waters is produced predominantly by photochemical processes, oxidized by micro-organisms and outgassed to the atmosphere. to assess carbon monoxide flux from the oceans to the atmosphere, the photochemical production and microbial oxidation of carbon monoxide in the oceanic mixed-layer was investigated during several oeanographic cruises and in the laboratory. the photoproduction rate of carbon monoxide was found to be well correlated to the concentration of dissolved organic carbon (DOC) in coastal and open ocean surface waters. Taking a global average carbon monoxide production rate of 10 ± 2 nmole litre^-1 (mg DOC hr)^-1 in the surface open ocean water, and 25 ± 7 nmole litre^-1 (mg DOC hr)^-1 in coastal sea water, at cloud-free summer solar noon, the photochemical production of carbon monoxide in the global oceans is estimated to be at a rate of 1200 ± 200 Tg CO y^-1. the microbial carbon monoxide turnover time in the mixed-layer was observed to range from hours in a coastal estuary to 16 days in the Pacific along 1057deg; W in dark incubations. Natural sunlight can largely inhibit the microbial consumption of carbon monoxide in surface water. On a global scale, microbial consumption is responsible for the loss of less than 10% of photochemical produced carbon monoxide in the surface ocean. Field measurements have shown that the net transport of carbon monoxide from the euphotic zone to the underlying deeper ocean water is limited and that the overall life time in surface sea waters is less than 3-4 hours. When combined, these field measurements with the photoproduction and microbial consumption rates obtained, we estimate the oceanic flux to the atmosphere is about 1000 ± 200 Tg CO y^-1, which represents the largest single source of atmospheric carbon monoxide.     

深圳市龙华区PM2.5污染与减排过程模拟分析

通过分析深圳市龙华区2018年大气环境承载力发现,NO2和PM10的实际大气环境承载量已经降到了理想大气环境容量范围内,而PM2.5的实际大气环境承载量则已超过理想大气环境容量近1000 t,说明PM2.5仍是龙华区大气污染防治的重点工作,利用科学手段精准、有效地指导PM2.5减排工作十分重要。基于相关监测数据,结合WRF-Chem大气化学模式,对深圳市龙华区2017年、2019年冷季大气中PM2.5污染日案例和2018年暖季大气中PM2.5相对清洁日案例的PM2.5污染与减排过程进行了模拟分析。结果表明:为达到PM2.5浓度的控制目标,龙华区需在相对清洁时期的排放量上减排30%,污染时期的排放量上减排70%~75%,且减排工作在PM2.5浓度高峰时期开展能取得较好的减排效果;龙华区大气污染受周边区域传输污染的影响较大,减排任务较为严峻,需要其他地区协同参与,共同减排。     

分子模拟方法在爆炸反应机理方面的应用进展

针对爆炸过程反应机理异常复杂,实验检测手段对其认识匮乏的现状,综述了量子化学、反应分子动力学等分子模拟方法的特点及研究进展,分析了分子模拟技术在燃爆机理研究中的应用进展,包括量子化学方法对于燃料热解/燃烧、瓦斯等可燃体系爆炸过程的微观基元反应步骤、反应能垒及热力学参数的计算,以及反应分子动力学(ReaxFF MD)在含能材料、可燃混合气等复杂爆炸体系获取可能的反应路径及中间自由基变化的应用。对分子模拟方法在爆炸领域研究的应用提出了建议及展望,指出ReaxFF MD和密度泛函理论(DFT)相结合是一种研究复杂爆炸体系微观反应机理极具潜力的方法,借助先进的分析检测手段对模拟方法的验证及修正,能获取更准确、全面的微观反应动力学模型。     

城市化进程中长江经济带长江干流水化学演变特征及影响因素

快速的城市化过程对城市周边水体水化学组成特征产生了诸多影响.为揭示长江经济带城市群发展对长江水化学特征的影响,于2020年10—11月沿长江干流,采集了四川宜宾至上海145个河流水样,并对比了历史水化学数据.同时,运用数理统计、离子比值法等方法探究了长江经济带平水期水化学特征.结果表明：长江河水的主要水化学类型为HCO₃·SO₄-Ca型,主要受流域内分布的碳酸盐岩等岩石风化作用控制;河水中阳离子以Ca²⁺为主,阴离子以HCO₃^-为主,Cl^-浓度沿径流方向升高,Ca²⁺和Mg²⁺浓度沿径流方向先升高后降低,SO₄^2-浓度沿径流方向逐渐上升,HCO₃^-浓度沿径流方向降低;城市化进程中,由于人类活动和工业活动加剧,除HCO₃^-外,Ca²⁺、Mg²⁺、Na⁺、K⁺、SO₄^2-和Cl^-浓度均升高;沿线工业活动、矿产开发、农业生产活动和生活污水排放可能是SO₄^2-、NO₃^-和Cl^-的主要来源.