Results from Three Field Tracer Experiments on the Neighbourhood Scale in the City of Birmingham UK

The physical processes governing flow and pollutantdispersion at the neighbourhood scale, a spatial scaleintermediate between the street scale and the city scale, is notwell understood. Furthermore, it is not clear whether a traditional approach using averaged characteristics such as theaerodynamic roughness length is sufficient to predict the concentration field at this scale. To investigate pollutant dispersion in a real urban area, three field experiments were designed within the UK-URGENT programme sponsored by NERC. Theexperiments were performed in the City of Birmingham using a finite duration release of inert, non-toxic and non-depositingtracers, vis. perfluoromethylcyclohexane (PMCH) and perfluoromethylcyclopentane (PMCP). Measurements were taken using air bag samplers placedin an arc at 3.5 km (first experiment) and 1 km (second andthird experiments) from the source; some trap samplers wereplaced outside the main arc in the outskirts of the city. Measurements were analysed in the laboratory using anovel gas-chromatography technique. Data so obtained werecompared with predictions from a simple steady-state modeland a time-dependent model. The concentration-time serieswere very asymmetrical with a sharp rise, a plateau followedby a relatively slow decrease and finally a long-livedplateau above (or possibly very slow decrease to) thebackground level.     

CFD Prediction of Air Quality in the Area between Two City Vehicular Tunnels Considering Moving Cars

Concentration fields of different pollutants that spread outside two roadtunnels predicted with a CFD code will be presented. The solution domain represents the city area located between two tunnel outlets – tunnel Strahov and tunnel Mrazovka in Prague. The vicinity of both tunnels is a heavily built up area with tall buildings forming typical street canyons. The CFD modelling predicts the situation after the tunnel Mrazovka will be finished and traffic will increase considerably between both tunnels. Namely, an interest was given to the prediction of dispersion of emissions leaving both tunnel and the area touched by the traffic. For the CFD predictions, a method previously developed for moving vehicles was used. The method uses combination of Eulerian and Lagrangian approaches to moving objects and is capable of modeling different speeds and traffic rates of cars as well as traffic-induced turbulence. Influence of several meteorological parameters was studied, namely wind speed and direction and traffic parameters, like traffic rates and speed of cars. The method separates contributions from different sources to the total concentration field, namely from background, tunnel outlet and roadway. Results are presented in the form of horizontal and vertical concentration fields of NO_x.     

A SIMPLE HYDRAULIC SIMULATOR1

ABSTRACT: A simple simulator was constructed, calibrated, programmed and used in management studies of a hydraulic system containing two pumping stations in series, connected by canals and reservoirs. The features of the model, its calibration and use are described, and comparisons between measured and computed hydraulic behavior are presented.     

考虑油滴碰撞聚结的斜板除油过程模拟

考虑离散油滴在油田废水除油过程中发生的油滴碰撞聚结现象,模拟得出斜板除油器内全部油滴的动态信息,用于斜板除油器除油效率的计算.对矩形同向流斜板除油过程的模拟研究表明:油滴的碰撞聚结会增加斜板除油的效率;当废水的原始含油浓度增大时,斜板除油的效率会增大,碰撞聚结对除油效率提高的影响也越大;废水流动速度提高及斜板的倾斜角度增加均会使斜板的除油效率降低,但此时油滴碰撞聚结对除油效率的影响仍很明显.     

Method to analyze the regional life loss risk by airborne chemicals released after devastating earthquakes: A simulation approach

Widespread chemical plants render human life more vulnerable to major natural disasters such as earthquakes. Recognizing the potential cascading threats initiated by a devastating earthquake, a general methodology for assessing the life loss risks introduced by airborne hazardous chemical dispersion following seismically induced chemical release (SICR) was proposed. With a 600 km × 600 km region in North China as a demonstrative study area, the dispersion of ammonia released from multiple relevant chemical plants that were supposed to be damaged by a devastating earthquake was simulated in a probabilistic manner. Using an ammonia toxicity-fatality relationship and its toxicity concentration threshold, regional life loss and spatial spread were evaluated. The life loss risk was found to be non-prominent but would be very contingent on unfavorable meteorological conditions. Non-parametric correlation analysis revealed that the respective effects of meteorological mixing parameters on the risk exhibit new features in a disaster context, that is, stronger mixing would cause elevation of risk in a region. This preliminary research implied that the risk of chemical-induced life loss after a devastating earthquake deserves attention and a thorough uncertainty evaluation in the future.     

Machine learning based quantitative consequence prediction models for toxic dispersion casualty

Incidental release of toxic chemicals can pose extreme danger to life in the vicinity. Therefore, it is crucial for emergency responders, plant operators, and safety professionals to have a fast and accurate prediction to evaluate possible toxic dispersion life-threatening consequences. In this work, a toxic chemical dispersion casualty database that contains 450 leak scenarios of 18 toxic chemicals is constructed to develop a machine learning based quantitative property-consequence relationship (QPCR) model to estimate the affected area caused by toxic chemical release within a certain death rate. The results show that the developed QPCR model can predict the toxic dispersion casualty range with root mean square error of maximum distance, minimum distance, and maximum width less than 0.2, 0.4, and 0.3, which indicates that the constructed model has satisfying accuracy in predicting toxic dispersion ranges under different lethal consequences. The model can be further expanded to accommodate more toxic chemicals and leaking scenarios.     

Numerical investigation of powder aerosolization in a mining rock dust dispersion chamber

We have conducted numerical simulations of dust dispersion within the NIOSH Rock Dust Dispersion Chamber. The apparatus consists of a low-speed background ventilation flow down a long box in which is placed a tray containing a rock dust powder. A nozzle upstream of the tray introduces a short pulse of a turbulent horizontal jet flow just above the powder surface. We have utilized an incompressible Reynolds-Averaged Navier-Stokes k-ω model for the turbulent flow; particles are incorporated within a one-way Euler-Lagrangian formalism. The Rock Dust Dispersion Chamber ventilation flow exhibits a recirculation zone just above the powder-containing tray. Aerosolization proceeds via the interplay of the jet pulse flow with the background recirculation flow. The air flow is not well-mixed. The aerosolized dust is convected as a concentration cloud downstream towards the detection zone. For larger particles, gravitational settling depletes the convected cloud, so the instrument behaves as a horizontal elutriator. The instrument is robust with respect to misalignment of the jet nozzle. However, reduced streamwise drift velocity allows mixing to disperse the optically detected dust cloud concentration pulse. Our large particle simulation results compare favorably with published experimental results for large, polydisperse calcium carbonate rock dust.     

Study into influence of different types of igniters on the explosion parameters of dispersed nitrocellulose powder

Nitrocellulose is a flammable compound produced by cellulose nitration. The nitrocellulose production and handling are associated with a risk of fire and explosion. Nitrocellulose is used as either collodion cotton (<12.5% N) or as an explosive (>12.5% N). Nitrocellulose is a fibrous or powdered substance and may detonate or burn upon certain conditions. The article compares the combustion parameters of dry nitrocellulose in the KV-150M2-UIBE explosion chamber at the concentrations of 250, 500 and 750 g m⁻³. To ignite a nitrocellulose sample, six different types of igniters were used. A commercially available 5 kJ pyrotechnic igniter was used as the standard. Also used were a nitrocellulose igniter, a pyrotechnic igniter with magnesium powder and KNO₃/KClO₃, and an exploding wire (Kanthal and tungsten wire). The examined igniters were found to affect the explosion parameters of dispersed nitrocellulose. The deviation of the explosion constant K_st reached 50% of the standard value. The highest pressure of 12.73 bar g was reached at a concentration of 750 g m⁻³ and an igniter exploding wire with Kanthal wire. The highest K_st value of 287.9 bar.m.s⁻¹ was achieved at a concentration of 750 g m⁻³, when using the pyrotechnic igniter with KClO₃ and magnesium powder.     

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.     

高分散MnOx/SAPO-34催化剂的制备及其低温NH3选择性催化还原NO性能

采用改进的溶胶-凝胶法制备一系列MnO_x/SAPO-34催化剂,考察了各制备参数对催化剂的结构及其低温氨选择性催化还原(NH_3-SCR)脱硝性能的影响,并通过X射线衍射、N_2吸附-脱附、透射电镜、X射线光电子能谱、NH_3程序升温脱附等手段对催化剂进行表征.结果表明,当制备参数为n(乙醇)/n(Mn)=15,n(H_2O)/n(Mn)=20,n(柠檬酸)/n(Mn)=1,Mn负载量为15%(质量分数),催化剂焙烧温度为350℃时,制备的高分散15%-MnO_x/SAPO-34-350℃催化剂具有最佳的低温SCR活性,在空速为45000 h~(-1)的条件下,且反应温度在120～240℃范围时均保持90%以上的NO转化率和接近100%的N_2选择性.MnO_x纳米颗粒高度分散在SAPO-34载体表面,平均粒径约为5.46 nm,纳米颗粒的表面效应使得该催化剂具备较大的比表面积,暴露出大量的活性位点和高活性的MnO_2(110)晶面,同时,高Mn~(4+)比例和更多的化学吸附氧以及适宜的表面酸强度和酸量也是15%-MnO_x/SAPO-34-350℃催化剂呈现最佳低温SCR活性的重要原因.