障碍物附近可燃性气体泄漏扩散的三维数值模拟

建立了一套适用于求解可燃性气体意外泄漏扩散时,可燃性气体浓度分布的三维数值模拟方法。对设置有障碍物的可燃性气体扩散风洞实验进行数值模拟,并将数值模拟结果与风洞实验数据进行比较。数值计算结果与风洞实验数据吻合得很好,两者浓度分布的趋势基本一致。数值模拟结果在一定程度上反映出可燃性气体扩散的浓度分布情况以及障碍物附近的气流和湍流情况,证明所建立的三维数值模拟方法在模拟障碍物附近可燃性气体泄漏扩散方面具有一定的有效性。     

障碍物间危险气体泄漏扩散的二维数值模拟

建立了一套基于κ-ε湍流模型的数值模拟方法,该方法适用于模拟可燃性气体、毒性气体等危险气体意外泄漏扩散时的湍流风场情况和危险气体的浓度分布情况。将数值模拟结果与风洞试验数据进行比较的结果表明,所建立的方法在模拟障碍物间危险气体泄漏扩散方面具有一定的有效性。     

有风情况下氯气泄漏扩散数值模拟研究

采用流体力学软件FLUENT的物质传输模块对不同风速情况下氯气绕障碍物泄漏扩散过程进行了数值模拟,获得了计算区域内风流场分布以及氯气泄漏随时间变化的扩散规律。结果表明在障碍物背面会形成漩涡,风流不畅使有害气体积聚不易扩散,且氯气泄漏过程存在明显的重气效应,容易向地面沉降,建筑物前方近地面处为氯气扩散高浓度区。当风速较小时,氯气扩散较慢,在越过障碍物时有直接向地面沉降趋势;当风速增大时,氯气云团在下风向扩散速率明显增大,在垂直方向扩散速率减小。     

化学毒性气体事故泄漏扩散的数值模拟及评价

在研究化学毒性气体事故泄漏的扩散模式的基础上 ,利用扩散模型对一氨气泄漏事故排放进行了数值模拟及评价 ,这种方法可为化学品安全评价、环境风险评价管理、风险工程设计、风险责任保险等领域及应急计划制定、事故抢险工作实施提供有效的工具。     

氯气泄漏扩散影响因素的数值模拟研究

基于FLUENT的物质传输模型建立氯气泄漏扩散模型,针对不同泄漏速率、外界风速、障碍物类型等对氯气泄漏扩散进行数值模拟.结果表明,泄漏速率较大时,重气效应明显增大,下风向形成的高浓度区增大;外界风速对重气扩散浓度和扩散危险性区域有很大影响,风速较大时,重气云在下风向的扩散速率增大,在水平侧风向的扩散速率减小,在泄漏源和障碍物附近的停留时间减少,形成的危险区域较小;不同的地表条件是影响重气扩散的重要因素.     

考虑障碍物分布和风速影响的天然气泄漏扩散研究

采用FLUENT软件对不同风速和障碍物分布下的天然气泄漏扩散进行了数值模拟。得到了甲烷在不同障碍物分布、风速影响下的扩散规律和甲烷的浓度分布规律,为有效预测天然气泄漏扩散的影响范围提供了依据。结果表明,在泄漏孔附近浓度和速度都很大,风速越大,天然气往下风方向输送的作用越明显;天然气的泄漏速度对扩散有明显的影响,速度越大扩散的高度越高;受障碍物高度的影响,扩散主要表现为天然气沿着障碍物壁面扩散和天然气发生偏转;受障碍物到泄漏孔距离的影响,天然气扩散主要表现为迎风面对天然气的阻挡作用。     

液氯瞬时泄漏扩散的数值模拟

在箱模型的基础上,用适当简化方式对高压常温液化贮存的液氯泄漏扩散进行了数值模拟,充分说明了重气效应的影响;通过数值模拟,认为云团液滴汽化、温度变化的这一短暂过程可近似看成是云团在泄漏源处的重力沉降,以一合适的初始半径高度比,作常态氯气泄漏扩散考虑,使得计算简化。这种近似模拟结果与液氯泄漏扩散模拟结果基本相近,如下风向距离浓度等。以常态氯气泄漏扩散近似高压液化贮存氯气扩散,其初始半径高度比取决于风速,与泄漏介质的量及大气稳定度无关。     

化学危险性气体泄漏扩散模拟及其影响因素

分析了描述易燃易爆及有毒有害气体泄漏扩散过程的数学模型 ,包括Gaussian模型、Gaussian轨迹烟云模型、BM模型、Sutton模型及FEM3模型。重点介绍了目前广泛使用的Gaussian模型及Gaussian轨迹烟云模型。针对事故泄漏扩散过程的复杂性 ,详细讨论了气象条件及地形条件对危险性物质泄漏扩散过程的影响 ,此外还对不确定参数的选取进行了探讨。     

可燃及毒性气体泄漏扩散研究综述

就国内外关于危险性气体（包括可燃性及毒性气体）扩散研究中的数值模型与试验情况进行了综述。数值模型包括高斯烟羽模型、高斯烟团模型、Ｂ．Ｍ．模型、ＳＵＴ－ＴＯＮ模型及ＦＥＭ３模型等。试验研究包括８０年代国外进行的一些较大规模试验,如Ｂｕｒｒｏ试验、Ｃｏｙｏｔｅ试验、ＤｅｓｅｒｔＴｏｒｔｏｉｓｅ试验及Ｇｏｌｄｆｉｓｈ试验等。     

可燃及毒性气体扩散研究

从气体动力学入手,通过对气体微元进行质量平衡、动量平衡、能量平衡的分析,采用了新的扩散模型对危险性气体的扩散进行数值模拟,为了验证模型的合理性,设计简易风洞,对轻重气体(包括二氧化碳、丙烯、乙炔等气体)在不同的泄放条件下进行了多次定常风洞扩散试验,得到了气体实际扩散后浓度的分布,同时也考察了风速、泄放速率、气体密度等主要因素对气体扩散的影响,得到气体扩散的一般规律。模型计算结果与试验数据吻合较好,最大浓度计算值与试验值的平均偏差在20%以内,且浓度分布趋势一致,从而证明了该模型的合理性。编制了模拟软件可作为泄漏扩散事故的预防及发生事故后采取应急防护措施的分析工具     

All-silica zeolites screening for capture of toxic gases from molecular simulation

The exhaust gases, including SO_2,NH_3, H_2S, NO_2, NO, and CO, are principal air pollutants due to their severe harms to the ecological environment.Zeolites have been considered as good absorbent candidates to capture the six exhaust gases.In this work, we performed grand canonical ensemble Monte Carlo(GCMC) simulations to examine the capability of 95 kinds of all-silica zeolites in the removal of the six toxic gases, and to predict the adsorption isotherms of the six gases on all the zeolites.The simulation results showed that, H_2S, NO, NO_2, CO and NH_3 are well-captured by zeolite structures with accessible surface area of 1600–1800 m~2·g~(-1) and pore diameter of 0.6–0.7 nm, such as AFY and PAU, while SO_2 is well-adsorbed by zeolites containing larger accessible surface area(1700–2700 m~2·g~(-1)) and pore diameter(0.7–1.4 nm) at room temperature and an atmospheric pressure.However, at saturated adsorption, zeolites RWY, IRR, JSR, TSC, and ITT are found to exhibit better abilities to capture these gases.Our study provides useful computational insights in choosing and designing zeolite structures with high performance to remove toxic gases for air purification, thereby facilitating the development and application of exhaust gas-processing technology in green industry.     

Evolution of toxic gases from heated plastics

A brief investigation has been carried out into the nature and quantity of the toxic gases evolved during the thermal decomposition of polyurethane, urea-formaldehyde, nylon and acrylonitrile in air and in nitrogen. The weight fractions of the polymers evolved as hydrogen cyanide are given, together with the lowest temperatures at which hydrogen cyanide, carbon monoxide, ammonia and nitrogen oxides are evolved. Apparent activation energies for the evolution of hydrogen cyanide and carbon monoxide have been determined. A brief discussion of the experimental data is given.     

Simulation of toxic gases and vapours removal by activated carbon filters

The system ASC carbon filter/cyanogen chloride was studied by simulation. Three filter configurations and several models, taking into account Langmuir adsorption and second-order reaction between the adsorbed toxic vapour and the active metal on the surface, were developed.The effects of axial dispersion, number of reaction units, film mass transfer units and intraparticle mass transfer resistance on the breakthrough time were studied.Simulation results show that a complex model should be used in order to predict with reasonable accuracy the protection imparted by these filters.     

Thermal and dynamic structure of an ethanol flame in the boundary layer near an obstacle

The distribution of the dynamic and thermal parameters of a gas in the immediate vicinity of a flame stabilizer (behind a rib and a backward-facing step 3 mm high) are studied. Data on the longitudinal and transverse velocity components, velocity pulsations, and correlations of pulsations in the boundary layer with combustion and without combustion are obtained using the PIV equipment. Temperature is measured with a thermocouple. Flame is visualized in the visible and ultraviolet regions. It is shown that in the flow attachment region near the leading edge of the flame, the gas velocity is close to the normal burning velocity. Heat release is estimated from the results of measurements. The presence of regions of volume and frontal combustion and kinetic and diffusion reaction is established. With increasing distance from the stabilizer, the heat-release rate decreases by more than an order of magnitude.     

水泥厂主要有害气体及其防治

叙述了水泥生产过程中产生的主要有害气体,论述了它们的理化特征及给人类社会带来的危害。有害气体的防治技术很多,但有些成本很高,有的尚未进入实用阶段。文章结合我国国情,针对《水泥工业大气污染物排放标准》GB4915-2004的规定,重点对二氧化硫、氮氧化物等气态污染物的降排处理,介绍了一些较为简单有效而又适用的防治技术。另外,对产生温室效应的罪魁——二氧化碳的产生机理、数量及减排措施也提出了见解,并建议不失时机地利用清洁发展机制（CDM）来获得资金援助和先进技术。