Inverse modeling of multicomponent reactive transport through single and dual porosity media

Compacted bentonite is foreseen as buffer material for high-level radioactive waste in deep geological repositories because it provides hydraulic isolation, chemical stability, and radionuclide sorption. A wide range of laboratory tests were performed within the framework of FEBEX (Full-scale Engineered Barrier EXperiment) project to characterize buffer properties and develop numerical models for FEBEX bentonite. Here we present inverse single and dual-continuum multicomponent reactive transport models of a long-term permeation test performed on a 2.5 cm long sample of FEBEX bentonite. Initial saline bentonite porewater was flushed with 5.5 pore volumes of fresh granitic water. Water flux and chemical composition of effluent waters were monitored during almost 4 years. The model accounts for solute advection and diffusion and geochemical reactions such as aqueous complexation, acid-base, cation exchange, protonation/deprotonation by surface complexation and dissolution/precipitation of calcite, chalcedony and gypsum. All of these processes are assumed at local equilibrium. Similar to previous studies of bentonite porewater chemistry on batch systems which attest the relevance of protonation/deprotonation on buffering pH, our results confirm that protonation/deprotonation is a key process in maintaining a stable pH under dynamic transport conditions. Breakthrough curves of reactive species are more sensitive to initial porewater concentration than to effective diffusion coefficient. Optimum estimates of initial porewater chemistry of saturated compacted FEBEX bentonite are obtained by solving the inverse problem of multicomponent reactive transport. While the single-continuum model reproduces the trends of measured data for most chemical species, it fails to match properly the long tails of most breakthrough curves. Such limitation is overcome by resorting to a dual-continuum reactive transport model.     

Mixing-controlled biodegradation in a toluene plume--results from two-dimensional laboratory experiments

Various abiotic and biotic processes such as sorption, dilution, and degradation are known to affect the fate of organic contaminants, such as petroleum hydrocarbons in saturated porous media. Reactive transport modeling of such plumes indicates that the biodegradation of organic pollutants is, in many cases, controlled by mixing and therefore occurs locally at the plume's fringes, where electron donors and electron-acceptors mix. Herein, we aim to test whether this hypothesis can be verified by experimental results obtained from aerobic and anaerobic degradation experiments in two-dimensional sediment microcosms. Toluene was selected as a model compound for oxidizable contaminants. The two-dimensional microcosm was filled with quartz sand and operated under controlled flow conditions simulating a contaminant plume in otherwise uncontaminated groundwater. Aerobic degradation of toluene by Pseudomonas putida mt-2 reduced a continuous 8.7 mg L(-1) toluene concentration by 35% over a transport distance of 78 cm in 15.5 h. In comparison, under similar conditions Aromatoleum aromaticum strain EbN1 degraded 98% of the toluene infiltrated using nitrate (68.5+/-6.2 mg L(-1)) as electron acceptor. A major part of the biodegradation activity was located at the plume fringes and the slope of the electron-acceptor gradient was steeper during periods of active biodegradation. The distribution of toluene and the significant overlap of nitrate at the plume's fringe indicate that biokinetic and/or microscale transport processes may constitute additional limiting factors. Experimental data is corroborated with results from a reactive transport model using double Monod kinetics. The outcome of the study shows that in order to simulate degradation in contaminant plumes, detailed data sets are required to test the applicability of models. These will have to deal with the incorporation of existing parameters coding for substrate conversion kinetics and microbial growth.     

人群疏散行为仿真技术研究

提出并建立了一种人群疏散仿真模型。针对疏散空间中障碍物的动态布局,采用网格法获得各障碍物包围盒坐标,依据最短路径原则采用几何法确定每个个体起始疏散路径,解决了人群疏散的空间连续性问题。针对人群疏散时个体之间的差异性,依据个体与个体之间的作用力、摩擦力动态改变个体的行进方向,以及依据人群密度采用人群疏散速度模型实时确定每个个体的运动速度,解决了个体之间的动态避碰、绕行和超越等问题。针对人群疏散时多个出口的选择问题,提出了把出口拥挤状态与个体心理慌乱状态相结合的出口选择方法。最后采用粒子系统实现了上述人群疏散行为的二维仿真并取得了较好的效果。     

基于模糊层次综合法的炼铁厂评价模型及应用研究

运用模糊层次综合评价法建立炼铁厂安全评价的模型,该模型能有机地将炼铁厂的安全管理、设备设施、人员和环境等因素结合起来,依据各因素对系统安全影响的大小,决策者可对其采取相应的改进措施以有效地控制事故的发生。通过对炼铁厂安全性的分析,其评价结果和现实情况基本相符,能较为全面反映整个系统的安全性和各因素对系统安全性的影响大小,为炼铁厂的安全评价提供了一种有效的综合评价方法。     

基于社会科学统计程序(SPSS)回归性分析的尾矿库事故预测模型

基于社会科学统计程序(SPSS)软件的分析功能,对调查研究中获取的尾矿库案例进行数据提炼和分类编码,找出相关因子并进行回归性分析。最终目的是找出尾矿库各个因素的内在联系,建立简单的尾矿库事故模型,从而可以初步预测尾矿库事故发生的可能性。该预测模型为尾矿库事故的研究提出了新方法,对于防灾减灾以及保护人民生命财产安全起到了积极作用。     

活性污泥法的动力学方程讨论及数学模型研究

活性污泥法水处理过程是一个复杂的生化反应过程,伴随有物理化学反应、生化反应、相变过程及物质与能量的转化和传递过程.通过对微生物动力学方程的讨论,进而建立动力学模型,比较了Monod方程和Contois方程分别来模拟有机碳在曝气条件下的生化去除过程.模型主要预测底物浓度、溶解氧、微生物增长等引起的系统响应,为污水处理厂的运行提供指导.     

城市给水管网优化设计研究

研究了几种典型的城市给水管网优化设计数学模型,并给出了求解方法,指出在给水管网系统的优化设计中进一步完善广义简约(GRG)算法的必要性.     

边坡变形时序非线性判定及混沌预测研究

以探讨边坡变形性质及混沌预测可行性为目的,基于混沌理论利用相空间重构技术对其变形时间序列进行混沌特征判定,试验显示变形系统具有混沌特性,可用混沌相关理论进行研究;基于混沌相空间重构技术,笔者构建了多种混沌预测模型进行混沌预计研究,分析各类模型的工程实际应用效果;针对单次监测时序预测精度较低的问题,提出累加时序预测方案,训练结果显示,短期预测精度变形累计值基本控制在5%以内,高程值预测相对误差均低于1%,预测精度较高,可以用于工程实际。     

HAN阻隔防爆模型研究

通过合理简化,利用多方气体状态方程,分别建立油品储运容器内可燃混合气体定容爆炸模型和装设阻隔防爆材料的油品储运容器内可燃混合气体爆炸模型,获得了阻隔防爆性能测试装置的燃爆容器抗爆设计限值,以及其在HAN阻隔防爆测试中燃爆容器试爆压力量级的控制下限值,同时,还给出HAN工程应用中容器留空率的计算方法,具有实际指导意义。     

城市生态安全多层次灰色综合评价

从城市生态安全的基本内涵出发,根据压力(pressure)-状态(state)-响应(response)模型,从生态系统压力、生态系统状况、生态系统响应3方面构建一个4层次的城市生态安全评价指标体系,运用灰色系统理论,构建了城市生态安全多层次灰色综合评价模型,并结合实例进行计算。评价结果与实际情况基本相符,表明该模型能有效地利用评价指标的信息,所给出的综合评价值既能用于描述所评价城市的生态安全状况,亦可对不同城市的生态安全状况进行比较,对更加科学合理地评价城市生态安全状况具有参考价值。