Numerical Experiments and Structural Transformation of NonLinear Evolution in Illposed Systems

Numerical experiments on nonlinear equations of the 1st and 3rdorder derivatives have been carried out through structural analyses in the phase space according to the numerical instability of illposed systems, with changes of initial values and parameters, etc.. The results show that the quantitative instability in an illposed system may reveal reversed transformation in system evolution by structural representation, and confirm A·Dauglas’ theorem that “a nonlinear equation does not satisfy the existence of the initial value in a linear wellposed system”.     

Evaluation of humic acid removal by a flat submerged membrane photoreactor

A flat submerged membrane combined with a TiO 2 /UV photocatalytic reactor (FSMPR) was employed in batch mode to remove humic acid (HA). HA removal efficiency was characterized by UV 254 absorbance, UV-vis spectra, dissolved organic carbon (DOC) concentration, specific UV absorbance (SUVA), and trihalomethane formation potential (THMFP). The FSMPR process was effective in removing more than 86% of DOC and nearly 100% of UV 254 absorbance, while the THMFPs of samples were reduced to < 19 μ g/L after 150 min of treatment. In addition, changes in transmembrane pressure (TMP) with and without UV were evaluated; TiO 2 /UV was effective at controlling membrane fouling by HA. Analysis of the molecular weight (MW) distributions and three-dimensional excitation-emission matrix (EEM) fluorescence spectra of HAs revealed that the effectiveness in membrane fouling control is a result of changes in HA molecular characteristics. The TiO 2 /UV photocatalytic reactor caused the degradation of high MW, hydrophobic humic-like molecules to low MW, hydrophilic protein-like molecules, although this fraction was not completely removed during 150 min of treatment and was less responsible for membrane fouling.     

Emission inventories of primary particles and pollutant gases for China

Detailed high-resolution emission inventories of primary particles(PM2.5,BC and OC) and pollutant gases(SO2,NOx,NH3,CO and VOCs) for China in 2007 were constructed on the basis of the latest fuel consumption data,mostly at the county level,and from socio-economic statistics and data on fossil and biomass fuels obtained from government agencies.New emission factors reflecting local features were also used.The calculated emissions were 13.212 Mt PM2.5,1.4 Mt BC,2.946 Mt OC,31.584 Mt SO2,23.248 Mt NOx,16.017 Mt NH3,164.856 Mt CO and 35.464 Mt VOCs.The national and regional emissions were gridded with 0.5°× 0.5° resolution for use in air quality models.Larger emissions were found in eastern and central China than in western China.The emissions estimated here are roughly equal to those obtained in previous studies,but with different contributions from because of seasonal changes in residential heating and biomass combustion.Finally,uncertainties in inventories were analyzed.     

基于扫描电子显微镜的单根一维纳米材料原位场发射性能研究

基于扫描电子显微镜和纳米探针技术,展示了一维纳米材料原位场发射的测量方法和实例。实验以钨针尖为接收极,纳米材料为发射极,通过结合扫描电子显微镜的实时成像功能,纳米探针的精确操纵及电学测量技术以及激光辐照功能,系统研究了极间距离D、形貌变化、吸附气体和激光注入对单根多壁碳纳米管和氧化锌纳米线场发射性能的影响。结果表明,当D远小于纳米材料长度L的3倍时,D越小,开启场强和阈值场强越大,场发射性能越弱。此外,纳米线尖端曲率半径越大,场增强因子越小,场发射性能越弱。研究还发现O2的脱附和激光辐照有助于纳米材料场发射性能的提高。     

温室气体稳定目标下部门减排责任分解方法

为了探讨气候变化背景下温室气体排放权分摊机制这一研究难点,综述了温室气体减排责任分解方法的研究现状,遵循"共同但有区别的责任"思想并利用WRE稳定性廓线和IEA/SMP交通模型,开发了SMP-WRE模型。应用该模型建立了一种产业部门具体减排责任的分解方法,并以中国轻型车部门为例,展示了该方法的实现过程。结果表明:全球轻型车的基准排放是目标排放的2~4倍,说明轻型车部门实现450×10-6和550×10-6的CO2稳定水平难度很大。目标分解后的地区排放变化率欧美国家较小、中国较大,原因是欧美汽车市场规模饱和,而中国汽车正爆发式增加,排放增加不可避免。     

CO2排放约束下的广东省电力发展研究

为应对气候变化,我国承诺到2020年将单位GDP的CO2排放比2005年降低40 %～45%,广东省也有必要采取相应的减排措施.为此构建了广东省电力系统的能源技术模型以分析广东省电力的CO2排放和减排对策.应用模型分析了在三种减排约束下广东省至2020年电力的发展情景,以及相应的能源消费和CO2排放趋势.分析结果显示广东省电力部门至2020年合理的CO2减排目标可在将单位供电的CO2排放比2005年降低25%左右,主要减排措施包括:继续发展核电,核电装机的比例由2007年的5.8%提高到20%左右;关停200 MW以下小火电约8 000 MW;大力发展风电,风电装机比例由2007年的0.4%提高到10%以上;此外,还需适当发展天然气发电.     

10-羟基苯并喹啉锂配合物电子结构和光谱性质的理论研究

采用B3LYP和abinitio CIS方法在6-31G(d,p)水平上对10-羟基苯并喹啉锂配合物(LiBQ配合物)的基态和激发态的几何构型进行全优化.在基态和激发态的优化构型的基础上采用含时密度泛函理论(TD-DFT)的PCM模型计算配合物的吸收和发射光谱.计算得到的最大吸收和最大发射都是由于配体内电荷转移(ILCT)所致.计算结果表明配合物(LiBQ)是一种良好的发射蓝光的金属有机电致发光材料.     

裂纹尖端位错发射与运动的分子动力学模拟

带缺陷的高强度X80管线钢基体相α-Fe裂纹顶端的变形机理对于揭示该材料的失效机理是非常重要的.采用嵌入原子方法（EAM）描述原子间作用势,由大型分子动力学并行软件LAMMPS（Largescale Atomic/Molecular Massively Parallel Simulator）,建立足够大的模型以避免边界对位错发射与运动的影响,对中心裂纹板施加远场应力载荷,获得了裂尖发射位错的临界应力强度因子.模拟结果显示,在远场应力作用下,裂纹尖端出现了间歇性发射出位错的现象,即,首先在裂尖沿［1 1〖     

微波辅助预还原-HG-ICP-AES联用技术用于三七无机硒形态分析

建立了微波预还原-氢化物发生-电感耦合等离子体原子发射光谱联用技术测定中药三七提取液中无机硒的方法,对测定条件进行了优化选择,通过直接测定Se(IV)和微波辅助定量还原后测总硒,用差减法测得Se(VI)的量.Se(IV)的检出限为0.23 μg·L-1,相对标准偏差为2.0％,回收率为82％～104％,结果较为满意.     

木基复合材料破坏过程中声发射特性的研究

利用声发射监测系统获取了胶合板和贴面刨花板两种木基复合材料三点弯曲加载状态下断裂损伤的声发射信号。利用累计能量和振铃总计数两项声发射信号特征参量分析了胶合板和贴面刨花板损伤破坏过程及其特点;利用幅值和有效电压（RMS）研究了随挠度增大胶合板和贴面刨花板内部裂纹产生、扩展、宏观裂纹形成至断裂的过程。结果表明:声发射信号的幅值、有效电压、累计能量、振铃总计数等参量可以有效表征木基复合材料内部损伤演化过程;贴面刨花板的断裂损伤发生早于胶合板,且贴面刨花板的损伤演化过程分为线弹性阶段和断裂韧性阶段,胶合板分为线弹性阶段、非线性变形阶段和断裂韧性阶段。