预氧化聚丙烯腈/g-C3N4光催化降解罗丹明B

以聚丙烯腈(PAN)和g-C_3N_4为原料,采用超声波辅助分散的溶液浸渍法及煅烧法制备了具有共轭结构的预氧化聚丙烯腈/g-C_3N_4复合光催化剂(CPAN/g-C_3N_4),采用XRD、SEM、FTIR、UV-Vis DRS、EIS等技术对光催化剂进行了表征,考察了CPAN/g-C_3N_4对罗丹明B(Rh B)的可见光催化降解性能。结果表明:CPAN与g-C_3N_4具有良好的协同作用,使g-C_3N_4片状结构堆叠体颗粒显著减小,明显增强了光催化剂在全部光谱范围内的光吸收,有效提高了光生电子-空穴分离效率;在PAN与g-C_3N_4质量比为1∶200、煅烧温度250 ℃、煅烧时间1 h条件下所制备的CPAN/g-C_3N_4光催化活性最高,且具有良好的光催化活性稳定性。超氧自由基和光生空穴为CPAN/g-C_3N_4复合光催化剂光降解罗丹明B的主要活性物种。     

基于多孔环形喷嘴的可燃爆粉尘分散特征的密度效应研究*

为了研究不同密度的可燃爆粉尘在内置多孔环形喷嘴的20 L爆炸特性测试装置中的分散特征，基于负载粒子流方法、耦合DPM动量平衡方程和时间平均 Navier Stokes控制方程组，实现3种不同密度的煤粉、铝粉和锆粉在20 L爆炸测试装置中粉尘分散全过程的数值模拟。研究结果表明:多孔环形喷嘴的分散较为均匀，但是约束管道末端存在局部粉尘残留区，致使爆炸仓内真实粉尘浓度远低于形式浓度；爆炸仓中心位置的最大湍动能随着粉尘密度的增加而减小，只有显著地变化粉尘密度才能展示区分度较高的浓度峰值和抵达浓度峰值的时间。     

CFD simulations of dust dispersion in the 1 m3 explosion vessel

According to standard procedures, flammability and explosion parameters for dusts and dust mixtures are evaluated in 20 L and/or 1 m³ vessels, with equivalent results provided a correct ignition delay time (60 ms in the 20 L vessel; 600 ms in the 1 m³ vessel). In this work, CFD simulations of flow field and dust concentration distribution in the 1 m³ spherical vessel are performed, and the results compared to the data previously obtained for the 20 L. It has been found that in the 1 m³ vessel, the spatial distribution of the turbulent kinetic energy is lower and much more uniform. Concerning the dust distribution, as in the case of the 20 L, dust is mainly concentrated at the outer zones of the vortices generated inside the vessel. Furthermore, an incomplete feeding is attained, with most of the dust trapped in the perforated annular nozzle. Starting from the maps of dust concentration and turbulent kinetic energy, the deflagration index K_St is calculated in both vessels. In the conditions of the present work, the K_St is found to be 2.4 times higher in the 20 L than in the 1 m³ vessel.     

有机粘土疏水性吸附过程的分子模拟:烷基碳原子数和有机物logK_(ow)的影响

基于从分子尺度上解析改性剂烷基碳原子数和有机物疏水性对有机粘土吸附能力的影响机制,以从头算的量子化学计算方法(MP2/6-31g(d))模拟了有机粘土在水溶液中的吸附过程.通过计算吸附前后几何构型、能量、化学键和电荷分布等参数的变化,分析了影响有机粘土疏水性吸附的关键因素,并对疏水性吸附作用力的化学本质进行了初步探讨.计算结果表明,烷基碳原子数增加对提高有机物吸附能的作用并不显著,长链烷基提高有机粘土吸附容量的真正原因在于其可提供更多的有机物吸附位.有机物的疏水性(以正辛醇-水分配系数logKow表征)是影响疏水性吸附过程的关键因子,水分子的引力作用对疏水性吸附具有决定性影响,理论上解释了普遍存在的有机物吸附量与logKow呈正相关的实验现象.疏水性吸附力的作用前提是有机物为疏水性,即当水分子的引力作用较弱时疏水性作用力才可以表现出来;而对于亲水性有机物,疏水性吸附力会被水分子的引力所抵消,吸附强度减弱.模拟红外光谱和电荷分布结果表明,吸附前后无化学键断裂和电子得失的发生,只有原子电荷密度的微小变化,据此推测疏水性吸附力以分子间弱相互作用力——London色散力为主.     

城市道路机动车尾气污染物扩散模型研究概况

介绍了国外几个主要城市道路机动车尾气污染物扩散模型,以及模型的分类、特点和发展过程。同时,简要介绍了国内学者利用主要扩散模型对于城市道路机动车污染物的研究。     

氯气泄漏后毒害区的估算及泄漏的处置

运用毒害区计算方法对本部贮存的氯气泄漏后扩散的半径进行估算,同时以扩散的半径作参考,提出氯气泄漏的处置方法.     

Review of hydrogen safety during storage,transmission, and applications processes

Hydrogen is considered an excellent clean fuel with potential applications in several fields. There are serious safety concerns associated with the hydrogen process. These concerns need to be thoroughly understood and addressed to ensure its safe operation. To better understand the safety challenges of hydrogen use, application, and process, it is essential to undertake a detailed risk analysis. This can be achieved by performing detailed consequence modellings and assessing risk using the computational fluid dynamics (CFD) approach. This study comprehensively reviews and analyses safety challenges related to hydrogen, focusing on hydrogen storage, transmission, and application processes. Range of release and dispersion scenarios are investigated to analyse associated hazards. Approaches to quantitative risk assessment are also briefly discussed.     

European scale application of atmospheric reactive nitrogen measurements in a low-cost approach to infer dry deposition fluxes

A European scale network was established in 2006 as part of the NitroEurope Integrated Project to infer reactive nitrogen (Nr) dry deposition fluxes, based on low-cost sampling of gaseous and aerosol species and inferential modelling. The network provides monthly measurements of NH₃, NH₄⁺, HNO₃ and NO₃⁻, as well as SO₂, SO₄²⁻, HCl, Cl⁻ and base cations at 58 sites. Measurements are made with an established low-cost denuder methodology (DELTA) as a basis to: (1) examine temporal trends and spatial patterns across Europe, (2) improve and calibrate inferential modelling techniques to estimate exchange of Nr species, (3) provide best estimates of atmospheric dry N deposition, and (4) permit an analysis of net GHG exchange in relation to atmospheric and agricultural N inputs at the European scale. Responsibility for measurements is shared among seven European laboratories. An inter-comparison of the DELTA implementation by 6 laboratories at 4 test sites (Montelibretti, Italy; Braunschweig, Germany; Paterna, Spain and Auchencorth, UK) from July to October 2006 provided training for the laboratories and showed that good agreement was achieved in different climatic conditions (87% of laboratory site-means within 20% of the inter-laboratory median). Results obtained from the first year of measurements show substantial spatial variability in atmospheric Nr concentrations, illustrating the major local (NH₃) and regional (HNO₃, NO₃⁻, and NH₄⁺) differences in Nr concentrations. These results provide the basis to develop future estimates of site-based Nr dry deposition fluxes across Europe, and highlight the role of NH₃, largely of agricultural origin, which was the largest single constituent and will dominate dry Nr fluxes at most sites.     

含信号控制人行横道的街道峡谷污染物扩散三维数值模拟

耦合微观交通仿真和机动车尾气排放模型,分别对含信号控制人行横道和不含信号控制人行横道的街道峡谷污染物排放进行计算,并以此为排放源,采用k-ε两方程模型与组分输运方程对风向与街道垂直时的污染扩散情况进行了三维数值模拟.结果表明,k-ε两方程模型与组分输运方程可以较好地模拟风向与街道垂直时三维街道峡谷内的污染物扩散情况.峡...     

Impacts of Upstream Building Width and Upwind Building Arrangements on Airflow and Pollutant Dispersion in a Street Canyon

A two-dimensional numerical model for evaluating the wind flow and pollutant dispersion within a street canyon was first developed using the FLUENT code, which was then validated against a wind tunnel experiment. Then, the effects of the upstream building width and upwind building arrangement on the airflow and pollutant dispersion inside an isolated street canyon were investigated numerically. The numerical results revealed that: (1) the in-canyon vortex center shifts downwards as the upstream building width increases; (2) the recirculation zone covers the entire upstream building roof for the cases when W/H = 0.5, 1.0, 1.5, and 2.0 (W is the upstream building width and H is the building height), whereas the flow reattaches the upstream building roof for the cases when W/H = 2.5 and 3.0; (3) when the upstream building width is shorter than the critical width W_C (= 2H), an increase in the upstream building width leads to an increase in the pollution level on the leeward wall of the canyon and a decrease in the roof-level concentrations at the upstream building; (4) when the upstream building width is longer than the critical width, the roof-level concentrations at the upstream building are negligibly small and the pollution level on the leeward wall of the canyon is almost unaffected by a further increase in the upstream building width; (5) when the buildings are placed upwind of the canyon, the flow attaches the upstream building roof and, therefore, almost none of the pollutants are distributed on the upstream building roof; and (6) the pollution levels inside the canyon and on the downstream building roof increase significantly with the number of upwind buildings.