Reactive transport modeling of processes controlling the distribution and natural attenuation of phenolic compounds in a deep sandstone aquifer

Reactive solute transport modeling was utilized to evaluate the potential for natural attenuation of a contaminant plume containing phenolic compounds at a chemical producer in the West Midlands, UK. The reactive transport simulations consider microbially mediated biodegradation of the phenolic compounds (phenols, cresols, and xylenols) by multiple electron acceptors. Inorganic reactions including hydrolysis, aqueous complexation, dissolution of primary minerals, formation of secondary mineral phases, and ion exchange are considered. One-dimensional (1D) and three-dimensional (3D) simulations were conducted. Mass balance calculations indicate that biodegradation in the saturated zone has degraded approximately 1-5% of the organic contaminant plume over a time period of 47 years. Simulations indicate that denitrification is the most significant degradation process, accounting for approximately 50% of the organic contaminant removal, followed by sulfate reduction and fermentation reactions, each contributing 15-20%. Aerobic respiration accounts for less than 10% of the observed contaminant removal in the saturated zone. Although concentrations of Fe(III) and Mn(IV) mineral phases are high in the aquifer sediment, reductive dissolution is limited, producing only 5% of the observed mass loss. Mass balance calculations suggest that no more than 20-25% of the observed total inorganic carbon (TIC) was generated from biodegradation reactions in the saturated zone. Simulations indicate that aerobic biodegradation in the unsaturated zone, before the contaminant entered the aquifer, may have produced the majority of the TIC observed in the plume. Because long-term degradation is limited to processes within the saturated zone, use of observed TIC concentrations to predict the future natural attenuation may overestimate contaminant degradation by a factor of 4-5.     

Ozone patterns for three metropolitan statistical areas in North Carolina, USA

As part of an effort by the state of North Carolina to develop a State Implementation Plan (SIP) for 1-h peak ozone control, a network of ozone stations was established to monitor surface ozone concentrations across the state. Between 19 and 23 ozone stations made continuous surface measurements between 1993 and 1995 surrounding three major metropolitan statistical areas (MSAs): Raleigh/Durham (RDU), Charlotte/Mecklenburg (CLT), and Greensboro/High Point/Winston-Salem (GSO). Statistical averages of the meteorological and ozone data were performed at each Metropolitan Statistical Area (MSA) to study trends and/or relationships on high ozone days (days in which one of the MSA sites measured an hourly ozone concentration90.0 ppbv). County emission maps of precursor gases, wind roses, total area averages of ozone, total downwind averages of ozone deviations, upwind averages of ozone, and a modified delta ozone analysis were all obtained and analyzed. The results of this study show a reduction in the delta ozone relative to an earlier study at RDU, but no average significant change at CLT (no comparison can be made for GSO). The statistical data analyses in this study are used to quantify the importance of local contributions and regional transport, to ozone air pollution in the MSAs.     

On the hydro-dispersive equivalence between multi-layered mineral barriers

In the context of municipal solid waste and hazardous waste disposal, the notion of "equivalence" between different barrier designs appears in regulatory documents from several industrialized countries. While in the past, equivalence has been thought of mainly in terms of contaminant travel times, in recent years it has been defined more in terms of the magnitude of a disposal site's potential impact on groundwater resources. This paper presents some original analytical solutions to the problem of contaminant migration through a multi-layered mineral barrier. The solutions account for the two major mechanisms of subsurface contaminant migration, namely, advection and diffusion-dispersion. An example application using the proposed solutions and a numerical model illustrates how one multi-layered mineral barrier can be considered superior to another from a strictly hydro-dispersive viewpoint. The influence of partial saturation of the mineral barrier is investigated using a numerical solution to the Richards equation for unsaturated flow. It is emphasized that conclusions relative to the superiority of one multi-layered barrier, with respect to another, should not only consider hydro-dispersive aspects, but also other processes such as the mechanical and chemical evolutions of the different barrier components. Although such phenomena are poorly addressed by existing models, failure to take them into account, at least in a qualitative fashion, may lead to unconservative conclusions with respect to barrier equivalence.     

Intercomparison of reactive transport models applied to UO2 oxidative dissolution and uranium migration

Oxidative dissolution of uranium dioxide (UO₂) and the subsequent migration of uranium in a subsurface environment and an underground waste disposal have been simulated with reactive transport models. In these systems, hydrogeological and chemical processes are closely entangled and their interdependency has been analyzed in detail, notably with respect to redox reactions, kinetics of mineralogical evolution and hydrodynamic migration of species of interest.Different codes, where among CASTEM, CHEMTRAP and HYTEC, have been used as an intercomparison and verification exercise. Although the agreement between codes is satisfactory, it is shown that the discretization method of the transport equation (i.e. finite elements (FE) versus mixed-hybrid FE and finite differences) and the sequential coupling scheme may lead to systematic discrepancies.     

Transport modeling of copper and cadmium with linear and nonlinear retardation factors

The predictive accuracy of using the one-dimensional advection–dispersion equation to evaluate the fate and transport of solute in a soil column is usually dependent on the proper determination of chemical retardation factors. Typically, the distribution coefficient (K_d) obtained by fitting the linear sorption isotherm has been extensively used to consider general geochemical reactions on solute transport in a low-concentration range. However, the linear distribution coefficient cannot be adequately utilized to describe the solute fate at a higher concentration level. This study employed the nonlinear equilibrium-controlled sorption parameters to determine the retardation factor used in column leaching experiments. Copper and cadmium transportation in a lateritic silty-clay soil column was examined. Through the explicit finite-difference calculations with a third-order total-variation-diminishing (TVD) numerical solution scheme, all results of the theoretical copper and cadmium breakthrough curves (BTCs) simulated by using the Freundlich nonlinear retardation factors revealed good agreement with the experimental observations.     

大型运输机水上迫降动力学分析及模型验证

目的 完善大型运输机水上迫降分析方法,提高分析精度。方法 以有限元和SPH方法为基础,开展大型运输机水上迫降动力学仿真。基于冯.卡门经典入水冲击理论,构造大型运输机机身底部吸力模型,提出基于工程修正的水上迫降动响应分析方法,并通过试验验证。结果 通过分析得出,飞机接水后,机头迅速上扬,俯仰角达到峰值后,机头向下运动,俯仰角逐渐减小,分析得到的飞机姿态变化与试验的变化趋势基本一致。结论 水上迫降模型试验表明,分析误差能够满足工程设计要求。     

Long-term observations of tropospheric NO2, SO2 and HCHO by MAX-DOAS in Yangtze River Delta area, China

Yangtze River Delta(YRD) area is one of the important economic zones in China. However,this area faces increasing environmental problems. In this study, we use ground-based multi-axis differential optical absorption spectroscopy(MAX-DOAS) network in Eastern China to retrieve variations of NO_2, SO_2, and formaldehyde(HCHO) in the YRD area. Three cities of YRD(Hefei, Nanjing, and Shanghai) were selected for long-term observations. This paper presents technical performance and characteristics of instruments, their distribution in YRD, and results of vertical column densities(VCDs) and profiles of NO_2, SO_2, and HCHO.Average diurnal variations of tropospheric NO_2 and SO_2 in different seasons over the three stations yielded minimum values at noon or in the early afternoon, whereas tropospheric HCHO reached the maximum during midday hours. Slight reduction of the pollutants in weekends occurred in all the three sites. In general trace gas concentrations gradually reduced from Shanghai to Hefei. Tropospheric VCDs of NO_2, SO_2, and HCHO were compared with those from Ozone Monitoring Instrument(OMI) satellite observations, resulting in R~2 of 0.606, 0.5432, and 0.5566, respectively. According to analysis of regional transports of pollutants, pollution process happened in YRD under the north wind with the pollution dissipating in the southeast wind. The feature is significant in exploring transport of tropospheric trace gas pollution in YRD, and provides basis for satellite and model validation.     

河南省冬季3次重污染过程的数值模拟及输送特征分析

利用WRF-Chem模式模拟2015年11月27日—12月1日、12月5—14日、12月19—25日河南3次重污染过程,结合空气污染资料和ERA-Interim再分析资料,对比分析了这3次重污染过程的开始、持续和结束及污染物的输送特征.结果表明,静稳天气有利于污染的发展持续,3次重污染过程的结束均是由西路冷空气入侵造成的.第1次重污染过程平均风场上的风速均为小风或静风,从湖北到河南南部风向为偏南风;而第2和第3次重污染过程平均风场分别以偏东和偏北风为主.第2和第3次重污染过程中均存在明显的由北向南的污染物输送过程.3次重污染过程中,河南省本地排放对本省PM_(2.5)浓度的平均贡献率最大,而河南省周边区域对河南PM_(2.5)浓度的平均贡献率在这3次过程中不一样,第1次重污染过程,河南南部主要受偏南风影响,湖北对河南PM_(2.5)浓度的平均贡献率最大,为20.7%;第2和第3次重污染过程主要受偏东风影响,安徽和江苏对河南PM_(2.5)浓度的平均贡献率最大,分别为17.7%和18.5%.3次重污染过程中,安阳的主要污染输送源均不相同,分别来自河北、江苏和安徽、本省.     

土壤-植物系统中铬的环境行为及其毒性评价

由于铬及其化合物的使用和含铬废弃物的大量排放,空气、土壤、水和食品都不同程度地受到了铬污染.对于铬污染,尤其是与人体健康密切相关的土壤系统铬污染的研究,已成为国内外相关领域的热点.其中铬在土壤-植物系统中的迁移转化规律备受关注.本文详细介绍了铬的基础化学、土壤-植物系统中铬迁移转化的影响因素(土壤理化性质、铬的供给形态、浓度、植物种类等)以及该系统中铬的生态毒性,总结了通过综合分析土壤-植物系统中植物、土壤微生物、土壤动物的生态毒理数据来评估土壤-植物系统中铬生态风险的方法,并指出了这一领域研究工作的不足之处,对今后的研究重点进行了展望.     

污染物质在包气带中运移规律的实验研究

通过室内淋滤实验,研究了酚,氰,砷,汞,铬在粉质轻亚粘土和中砂中的积累,运移规律：（１）土体对污染物质吸附净化均可分为强吸附阶段,饱和吸附阶段和吸附饱和阶段;（２）土体对污染物质的吸附净化强度与其粒度通常呈负相关;（３）酚,氰在包气带中降解的主要原因是自身的挥发性与生物分解作用。证实污染物质在包气带中的主要迁移形式为：Ｈ３ＡｓＯ３,Ｈ２ＡｓＯ３＾－,ＣｒＯ４＾２,Ｈｇ（ＯＨ）＾＋,ＧｇＯＨＣＬ,同