Modelling biodegradation of hydrocarbons in aquifers: when is the use of the instantaneous reaction approximation justified?

In-situ bio-remediation is a viable cleanup alternative for aquifers contaminated by hydrocarbons such as BTEX. Transport models of varying complexity and capabilities are used to quantify their degradation. A model that has gained wide acceptance in applications is BIOPLUME II, which assumes that oxygen-limited biodegradation takes place as an instantaneous reaction. In this work we have employed theoretical analysis, using non-dimensional variables, and numerical modelling to establish a quantitative criterion demarcating the range of validity of the instantaneous reaction approximation against biodegradation kinetics. Oxygen was the limiting species and sorption was ignored. This criterion relates (o), the Dahmk?hler number at oxygen depletion, to O(o)*, the ratio of initial to input oxygen concentration, (o) > or = 0.7(O(o)*)(2) + 0.1O(o)* + 1.8. The derived (o) reflects the intrinsic characteristics of the physical transport and of the biochemical reaction, including the effect of biomass density. Relative availability of oxygen and hydrocarbons exerts a small influence on results. Theory, verified and refined via numerical simulations, showed that significant deviations of instantaneous reactions from kinetics are to be expected in the space-time region s相似文献   

A numerical study on the feasibility and efficiency of point smoke extraction strategies in large cross-section shield tunnel fires using CFD modeling

The strategy of smoke control is of high importance for the design process of tunnels, especially for long and large cross-section tunnels. The South Hongmei Rd. Tunnel (SHT) located in Shanghai, China, is a 3.39 km long shield TBM (tunnel boring machine) tunnel with an external diameter of 14.5 m. The point smoke extraction system was proposed initially as the main ventilation strategy during a tunnel fire. To investigate the fire characteristics in the tunnel and develop appropriate smoke control strategies, a series of numerical 3D Computation Fluid Dynamics (CFD) simulations were conducted. Three fire scenarios, namely 5 MW, 20 MW and 50 MW, were modeled to evaluate the point extraction system. The gas temperatures, the stratification of the smoke, air temperature, minimum visibility etc., during the smoke spreading of a fire were analyzed. Based on the results of the simulation, the smoke extraction strategies according to fire scale and fire location were proposed for fire extinguishing. It was found that the three-point extraction opening strategy can control the smoke better than two-point extraction opening strategy under various fire scales, especially under serious fire scenario. From the results, damper openings ranged at closer intervals were found more efficient in two-point extraction system. Besides, placing the damper openings in the longitudinal direction can improve the efficiency of smoke extraction. It also results in reduction of the quantity of prefabricated members of duct slab and the process of assembly will be simplified during the construction.     

Numerical evaluation of the effectiveness of NO2 and N2O5 generation during the NO ozonation process

Wet scrubbing combined with ozone oxidation has become a promising technology for simultaneous removal of SO₂ and NO_x in exhaust gas. In this paper, a new 20-species, 76-step detailed kinetic mechanism was proposed between O₃ and NO_x. The concentration of N₂O₅ was measured using an in-situ IR spectrometer. The numerical evaluation results kept good pace with both the public experiment results and our experiment results. Key reaction parameters for the generation of NO₂ and N₂O₅ during the NO ozonation process were investigated by a numerical simulation method. The effect of temperature on producing NO₂ was found to be negligible. To produce NO₂, the optimal residence time was 1.25 sec and the molar ratio of O₃/NO about 1. For the generation of N₂O₅, the residence time should be about 8 sec while the temperature of the exhaust gas should be strictly controlled and the molar ratio of O₃/NO about 1.75. This study provided detailed investigations on the reaction parameters of ozonation of NO_x by a numerical simulation method, and the results obtained should be helpful for the design and optimization of ozone oxidation combined with the wet flue gas desulfurization methods (WFGD) method for the removal of NO_x.     

层状云降水中化学过程的数值模拟

对一维时变的层状云物理化学模式的化学过程作了研究,引入了较为细致的化学模式,并以类似化学反应方程式的方式处理了气液传输、碰并和云雨转化过程。在此基础上讨论了典型条件下的云雨酸化过程。模拟结果表明,高空云雨水组成随时间逐渐减小,地面雨水组成呈峰型分布。在降水后期pH值主要同O₃和SO₂有关;主要来自气溶胶,来自NH₃,气体和气溶胶对的贡献大致相当,和Ca￣(2＋)的云下清除约占60％～80％;在降水前期H₂O₂时S(Ⅳ)的氧化超过O₃,降水后期S(Ⅳ)的氧化主要通过O₃。      

Effect of ambient polycyclic aromatic hydrocarbons and nicotine on the structure of Aβ42 protein

● B[a]P, nicotine and phenanthrene molecules altered the secondary structure of Aβ₄₂. ● β-content of the peptide was significantly enhanced in the presence of the PAHs. ● Nicotine made stable cluster with Aβ₄₂ peptide via hydrogen bonds. ● Phenanthrene due to its small size, interfered with the Aβ₄₂ monomer more strongly. Recent studies have correlated the chronic impact of ambient environmental pollutants like polycyclic aromatic hydrocarbons (PAHs) with the progression of neurodegenerative disorders, either by using statistical data from various cities, or via tracking biomarkers during in-vivo experiments. Among different neurodegenerative disorders, PAHs are known to cause increased risk for Alzheimer’s disease, related to the development of amyloid beta (Aβ) peptide oligomers. However, the complex molecular interactions between peptide monomers and organic pollutants remains obscured. In this work, we performed an atomistic molecular dynamics study via GROMACS to investigate the structure of Aβ₄₂ peptide monomer in the presence of benzo[a]pyrene, nicotine, and phenanthrene. Interestingly the results revealed strong hydrophobic, and hydrogen-bond based interactions between Aβ peptides and these environmental pollutants that resulted in the formation of stable intermolecular clusters. The strong interactions affected the secondary structure of the Aβ₄₂ peptide in the presence of the organic pollutants, with almost 50 % decrease in the α-helix and 2 %–10 % increase in the β-sheets of the peptide. Overall, the undergoing changes in the secondary structure of the peptide monomer in the presence of the pollutants under the study indicates an enhanced formation of Aβ peptide oligomers, and consequent progression of Alzheimer’s disease.     

上、下悬窗阻风能力对比研究

环境风会改变排烟窗附近的烟气流向和速度,影响建筑内烟气流动,进而导致建筑自然排烟效率受到影响。采用数值模拟方法,对比研究了排烟窗开启角度和环境风对上、下悬窗阻风能力的影响,分析了不同开窗角度下,悬窗进风量和进风区域随开窗角度和风速的变化规律。结果表明:上、下悬窗相对进风量与开窗角度均成指数关系,但上悬窗阻风能力弱于下悬窗,上悬窗开窗角度大于45°后即失去阻风能力,而下悬窗开窗角度大于75°后才逐渐失去阻风能力,且开窗角度小于30°时,下悬窗至少能比上悬窗多减少50%空气进入室内。上悬窗开窗角度小于56°时,主要进风区域为近窗下侧水平区域;下悬窗开窗角度小于30°时,主要进风区域为窗体两侧及远窗下侧竖直区域,随着开窗角度增大,上、下悬窗主要进风区域均过渡到远窗下侧竖直区域。窗体用于日常通风时建议优选上悬窗。若要用于排烟,则应首选下悬窗,开窗角度15°即可满足阻风要求,若选用上悬窗,开窗角度不宜大于45°。     

CONTINUOUS SIMULATION OF RECEIVING WATER QUALITY TRANSIENTS1

: This paper presents solutions to the one-dimensional, transient conservation of mass equations for the coupled biochemical oxygen demand-dissolved oxygen (BOD-DO) reactions, based on the principle of superposition, for continuously discharging plane sources. The solutions are applied within the framework of a continuous simulation model to allow the derivation of water quality frequency curves and frequency histograms of consecutive hourly dissolved oxygen violations, for any desired standard. Receiving water response is determined for waste inputs from urban wet weather, dry weather, and upstream sources. An application to Des Moines, Iowa, and Des Moines River indicated that urban storm water impacts on the stream can be masked in the cumulative frequency curve representation, but the benefits of storm water control are clearly shown in frequency histograms of the duration of consecutive stream standard violations.     

基于数值模拟的细水雾在汽车涂装车间喷漆室的应用研究

采用FDS软件对细水雾扑救汽车涂装车间喷漆室火灾的灭火效能进行数值模拟分析,着重探讨了喷漆室纵向通风、细水雾雾滴粒径、雾滴喷射速度、汽车障碍物等对扑灭油漆火的影响。模拟结果表明:在细水雾与油漆火的相互作用过程中,细水雾对火源的表面冷却和隔氧窒息作用显著;为了防止室内氧气得到补充,在开启细水雾灭火的同时应当联动控制关闭纵向通风系统;在模拟工况条件下雾滴粒径为100μm~300μm的细水雾灭火效果优于粒径为400μm、500μm的细水雾;雾滴在一定喷射速度范围内速度越大灭火效果越好,喷射速度为10m/s的雾滴灭火效果明显优于3m/s和5m/s的雾滴,但是为了防止火焰横向蔓延,喷射速度不宜过高;在汽车障碍物火灾中部分微小的细水雾雾滴受到火焰的卷吸作用,可以绕过障碍物进入火区发挥冷却作用,细水雾灭火系统能够有效控制障碍物火灾,可以应用于汽车涂装车间喷漆室。     

不同河岸带修复策略对氮磷非点源污染的净化作用

选择北江的重要支流流溪河流域为研究对象,基于现有河岸带对非点源污染削减作用的模拟结果,采用情景分析法,预测不同河岸带修复策略对非点源污染的削减作用,使用效益-成本指数表征TN和TP削减率提高幅度与增加河岸带面积的关系,比较不同河岸带修复策略的效率.结果表明:河岸带对TN和TP的削减能力具有较大的空间差异性.各修复情景都在不同程度上提高了河岸带对TN和TP的削减率(TN:23.36%~30.72%;TP:27.19%~39.86%),河岸带增加总面积与削减率呈现对数增长关系(P<0.05).选择综合考虑了流域非点源负荷量以及河岸带状况的优先修复子流域进行河岸带修复时,效益-成本指数达最高为1.19%.