A composite medium approximation for unsaturated flow in layered sediments

Saturated-unsaturated flow in strictly layered sediments proceeds via conductors in parallel in the direction parallel to bedding, and via resistors in series in the direction perpendicular to bedding. On sufficiently small scales of space and time, flow in such media will be subject to approximate capillary equilibrium locally, which provides a basis for approximating the effective hydraulic conductivity of a composite multi-layer medium in terms of the conductivities of the individual layers. Equations for the hydraulic conductivity tensor in "composite medium approximation" (COMA) are given in a coordinate system aligned with bedding. Hydraulic conductivity parallel to bedding is generally larger than in the perpendicular direction. The anisotropy depends on the spread of the conductivity distribution, and tends to increase for dryer conditions. The COMA model was implemented in a multi-phase flow simulator and tested by comparison with high-resolution simulations in which all layering heterogeneity is resolved explicitly. Under favorable conditions, COMA is found to accurately represent sub-grid scale flow and transport processes, providing a practical method for simulating field-scale flow and transport in layered media. The approximation improves when layers are thinner, and when flow rates are smaller.     

Modeling of air sparging of VOC-contaminated soil columns

Air sparging is a remediation technology currently being applied for the restoration of sites contaminated with volatile organic compounds (VOCs). Attempts have been made by various researchers to model the fate of VOCs in the gas and liquid phase during air sparging. In this study, a radial diffusion model with an air–water mass transfer boundary condition was developed and applied for the prediction of VOC volatilization from air sparging of contaminated soil columns. The approach taken was to use various parameters such as mass transfer coefficients and tortuosity factors determined previously in separate experiments using a single air channel apparatus and applying these parameters to a complex system with many air channels. Incorporated in the model, is the concept of mass transfer zone (MTZ) where diffusion of VOCs in this zone was impacted by the volatilization of VOCs at the air–water interface but with negligible impact outside the zone. The model predicted fairly well the change in the VOC concentrations in the exhaust air, the final average aqueous VOC concentration, and the total mass removed. The predicted mass removal was within 1% to 20% of the actual experimental mass removed. The results of the model seemed to suggest that air-sparged soil columns may be modeled as a composite of individual air channels surrounded by a MTZ. For a given air flow rate and air saturation, the VOC removal was found to be inversely proportional to the radius of the air channel. The approach taken provided conceptual insights on mass transfer processes during air sparging operations.     

Modeling potential vadose-zone transport of nitrogen from onsite wastewater systems at the development scale

Water in the urban front-range corridor of Colorado has become an increasingly critical resource as the state faces both supply issues as well as anthropogenic degradation of water quality in several aquifers used for drinking water. A proposed development (up to 1100 homes over two quarter-quarter sections) at Todd Creek, Colorado, a suburb of Westminster located about 20 miles northeast of Denver, is considering use of onsite wastewater systems (OWS) to treat and remove domestic wastewater. Local health and environmental agencies have concerns for potential impacts to local water quality. Nitrogen treatment in the vadose zone and subsequent transport to ground water at a development scale is the focus of this investigation. The numerical model HYDRUS 1D was used, with input based on site-specific data and several transport parameters estimated from statistical distribution, to simulate nitrate concentrations reaching ground water. The model predictions were highly sensitive to mass-loading of nitrogen from OWS and the denitrification rate coefficient. The mass loading is relatively certain for the large number of proposed OWS. However, reasonable values for the denitrification rate coefficients vary over three orders of magnitude. Using the median value from a cumulative frequency distribution function, based on rates obtained from the literature, resulted in simulated output nitrate concentrations that were less than 1% of regulatory maximum concentrations. Reasonable rates at the lower end of the reported range, corresponding to lower 95% confidence interval estimates, result in simulated nitrate concentrations reaching groundwater above regulatory limits.     

Present state and future directions of modeling of geochemistry in hydrogeological systems

A first step towards understanding and controlling the fate and dissemination of radioactive waste is to create a concise and comprehensive theoretical framework for the rather non-linear processes involved--hence, the need for geochemical models. Two classes of geochemical models are commonly used, i.e., static and hydrodynamic models. In contrast to static models, hydrodynamic models combine geochemical reactions with hydrogeological processes such as ground-water flow, diffusion and dispersion. In this review, we examine the present state of geochemical models in terms of included processes, thermodynamic databases, missing phenomena, numerical behavior and performance. It is shown that over the past decade, significant progress has been made with respect to modeling of geochemistry in hydrodynamic systems: this is illustrated by describing several applications. Finally, we focus on the perspectives of geochemical modeling in the assessment of the safety of nuclear waste disposal.     

Modeling in situ ozonation for the remediation of nonvolatile PAH-contaminated unsaturated soils

Mathematical models were developed to investigate the characteristics of gaseous ozone transport under various soil conditions and the feasibility of in situ ozone venting for the remediation of unsaturated soils contaminated with phenanthrene. On the basis of assumptions for the mass transfer and reactions of ozone, three approaches were considered: equilibrium, kinetic, and lump models. Water-saturation-dependent reactions of gaseous ozone with soil organic matter (SOM) and phenanthrene were employed. The models were solved numerically by using the finite-difference method, and the model parameters were determined by using the experimental data of Hsu [The use of gaseous ozone to remediate the organic contaminants in the unsaturated soils, PhD Thesis, Michigan State Univ., East Lansing, MI, 1995]. The transport of gas-phase ozone is significantly retarded by ozone consumption due to reactions with SOM and phenanthrene, in addition to dissolution. An operation time of 156 h was required to completely remove phenanthrene in a 5-m natural soil column. In actual situations, however, the operation time is likely to be longer than the ideal time because of unknown factors including heterogeneity of the porous medium and the distribution of SOM and contaminant. The ozone transport front length was found to be very limited (< 1 m). The sensitivity analysis indicated that SOM is the single most important factor affecting in situ ozonation for the remediation of unsaturated soil contaminated with phenanthrene. Models were found to be insensitive to the reaction mechanisms of phenathrene with either gas-phase ozone or dissolved ozone. More study is required to quantify the effect of OH* formation on the removal of contaminant and on ozone transport in the subsurface.     

Modeling adsorption in multicomponent systems using a Freundlich-type isotherm

The suitability of a Freundlich-type isotherm, the Sheindorf-Rebuhn-Sheintuch (SRS) equation, to represent the competitive adsorption of Sr, Cs and Co in Ca-montmorillonite suspensions was investigated. Experimental adsorption data were obtained for systems containing these cations as single-component, binary and ternary mixtures. The competition coefficient α_ij, which were obtained based on the experimental adsorption data for bicomponent systems, can be viewed as a way to quantify competitive interactions. The competition coefficients obtained for the cations under consideration indicate that their competitive interactions are of similar magnitude, with the cation least affected by competitive effects being Cs, while the adsorption of Co was more significantly affected by the presence of Cs, and Sr by the presence of Co. After α_ij-values were substituted in the SRS equation, the adsorption of systems of three or more components could be predicted. To validate the SRS equation, the adsorption values predicted by this equation for the ternary mixture Sr---Cs--- Co were compared to values determined experimentally. The SRS equation successfully modeled adsorption for the range of concentrations that followed Freundlich behavior.     

Modeling of flow and contaminant transport in coupled stream-aquifer systems

This paper describes an integrated approach for modeling flow and contaminant transport in hydraulically connected stream-aquifer systems. The code, FTSTREAM, extended the capabilities of the ground-water model, FTWORK, to incorporate chemical fate and transport in streams. Flow in the stream network is modeled as an unsteady, spatially varying flow, while transport modeling is based on a one-dimensional advection-dispersion equation. In addition to sorption and decay during transport in ground water, the model incorporates volatilization, settling and decay during transport in surface water. The interaction between surface water and ground water is accommodated by a leakage term and is implemented in the model using an iterative Picard-type procedure to ensure mass conservation across the interface between the two systems. The modeling approach is used to simulate contaminant transport in the Mad River, Ohio, which is hydraulically connected to a buried valley aquifer of sand and gravel outwash. The river is a receiving stream in the upstream part of the modeled area. Downstream, heavy pumping from a municipal well field causes the river to become a loosing stream. Induced infiltration from the river is responsible for a considerable portion of the well yield. The flow and transport model, developed for this study, simulates coupling between flow in the aquifer and the river. Hypothetical sources of contamination are introduced at selected locations in the upstream portion of the aquifer. The model is then used to simulate the expected transport in both the aquifer and the stream. A series of simulations elucidates the role of the river in facilitating the transport of the hypothetical contaminants in ground water and surface water. Effect of sorption, retardation and volatilization on contaminant transport is also examined for the case of the volatile organic compounds.     

Modeling Nutrient Transports and Exchanges of Nutrients Between Shallow Regions and the Open Baltic Sea in Present and Future Climate

We quantified horizontal transport patterns and the net exchange of nutrients between shallow regions and the open sea in the Baltic proper. A coupled biogeochemical-physical circulation model was used for transient simulations 1961-2100. The model was driven by regional downscaling of the IPCC climate change scenario A1B from two global General Circulation Models in combination with two nutrient load scenarios. Modeled nutrient transports followed mainly the large-scale internal water circulation and showed only small circulation changes in the future projections. The internal nutrient cycling and exchanges between shallow and deeper waters became intensified, and the internal removal of phosphorus became weaker in the warmer future climate. These effects counteracted the impact from nutrient load reductions according to the Baltic Sea Action Plan. The net effect of climate change and nutrient reductions was an increased net import of dissolved inorganic phosphorus to shallow areas in the Baltic proper.     

可持续发展视角下的中央商务区低碳发展路径和策略探讨

随着城市建设的不断推进,中央商务区(CBD)的可持续发展受到越来越多关注。随着全球气候变化的日益加剧,低碳CBD作为一种新型的CBD发展模式被提出。基于国内外已有的CBD建设研究,以可持续发展理念为指引,在解析CBD发展历程的基础上,探究了中国CBD低碳建设的路径和策略。CBD的碳排放特征分析表明,"低碳CBD"的发展路径必须将低碳理念贯彻到规划期、建设期及运营期等各个阶段,坚持全生命周期的低碳管理。最后,从量化低碳目标、创新低碳政策和持续改进地管理低碳建设3个方面提出了低碳CBD的发展策略。     

Geochemical evaluation of different groundwater–host rock systems for radioactive waste disposal

The geochemical suitability of a deep bedrock repository for radioactive waste disposal is determined by the composition of geomatrix and groundwater. Both influence radionuclide solubility, chemical buffer capacity and radionuclide retention. They also determine the chemical compatibility of waste forms, containers and backfill materials. Evaluation of different groundwater–host rock systems is performed by modeling the geochemical environments and the resulting radionuclide concentrations. In order to demonstrate the evaluation method, model calculations are applied to data sets available for various geological formations such as granite, clay and rocksalt.The saturation state of the groundwater–geomatrix system is found to be fundamental for the evaluation process. Hence, calculations are performed to determine if groundwater is in equilibrium with mineral phases of the geological formation. In addition, corrosion of waste forms in different groundwater is examined by means of reaction path modeling. The corrosion reactions change the solution compositions and pH, resulting in significant changes of radionuclide solubilities. The results demonstrate that geochemical modeling of saturation state and compatibility of the host formation environment with the radioactive waste proves to be a feasible tool for evaluation of various sites considered as deep underground repositories.     

Modeling the partitioning of BTEX in water-reformulated gasoline systems containing ethanol

The objectives of this research were to quantify the extent of cosolvency for water–gasoline mixtures containing ethanol and to identify appropriate modeling tools for predicting the equilibrium partitioning of BTEX compounds and ethanol between an ethanol-bearing gasoline and water. Batch-equilibrium experiments were performed to measure ethanol and BTEX partitioning between a gasoline and aqueous phase. The experiments incorporated simple binary and multicomponent organic mixtures comprised of as many as eight compounds as well as highly complex commercial gasolines where the composition of the organic phase was not completely defined. At high ethanol volume fractions, the measured partition coefficients displayed an approximate linear relationship when plotted on semi-log scale as a function of ethanol volume fraction. At lower concentrations, however, there was a distinctly different trend which is attributed to a change in solubilization mechanisms at these concentrations. Three mathematical models were compared with or fit to the experimental results. Log-linear and UNIFAC-based models were used in a predictive capacity and were capable of representing the overall increase in partition coefficients as a function of increasing ethanol content in the aqueous phase. However, neither of these predicted the observed two-part curve. A piecewise model comprised of a linear relationship for low ethanol volume fractions and a log-linear model for higher concentrations was fit to data for a surrogate gasoline comprised of eight compounds and was then used to predict BTEX concentrations in the aqueous phase equilibrated with three different commercial gasolines. This model was superior to the UNIFAC predictions, especially at the low aqueous ethanol concentrations.     

Evaluation of genotoxicity and coumarin production in conventional and organic cultivation systems of Mikania glomerata Spreng

Abstract

Mikania glomerata Sprengel, popularly known as “guaco,” is used in Brazilian folk medicine for several inflammatory and allergic conditions. Besides, the popular use “guaco” is indicated by the Brazilian Ministry of Health as a safe and effective herbal medicine. The biological activity of M. glomerata extracts is due to the presence of the coumarins, a large family of phenolic substances found in plants and is made of fused benzene and α-pyrone rings. Considering that there are few data on the biological effects of the extracts of M. glomerata, mainly in genetic level, this work aims to evaluate, in vitro, the genotoxicity and coumarin production in M. glomerata in conventional and organic growing. The data showed that the organic culture system showed double the concentration of coumarin being significantly more productive than the conventional system. Besides, the results of comet assay suggest that extracts of M. glomerata cultivated in a conventional system was genotoxic, increased DNA damage levels while the organic extracts seem to have antigenotoxic effect possibly due to the concentration of coumarins. Additional biochemical investigations are necessary to elucidate the mechanisms of action of M. glomerata extracts, which were found to have a role in protection against DNA damage.     

Modeling the formation and fate of odorous substances in collection systems.

A conceptual model that simulates the formation and fate of odorous substances in branched collection systems is presented. The model predicts the activity of the relevant biomass phenotypes under aerobic, anoxic, and anaerobic conditions in force mains and gravity sewers. The formation and fate of individual, malodorous substances in the bulk water, biofilms, and sediments are modeled. The release of odorous compounds from the bulk water to the sewer gas phase, their fate in the gas phase, and their subsequent release into the urban atmosphere is simulated. Examples of model application include the prediction of hydrogen sulfide and malodorous fermentation products from force mains and gravity sewers.     

Continuous integration in urban social-ecological systems science needs to allow for spacing co-existence: This article belongs to Ambio’s 50th Anniversary Collection. Theme: Urbanization

Urbanization brings benefits and burdens to both humans and nature. Cities are key systems for integrated social-ecological research and the interdisciplinary journal of Ambio has published ground-breaking contributions in this field. This reflection piece identifies and discusses integration of the human and natural spheres in urban social-ecological research using the following foundational papers as important milestones: Folke et al. (1997), Ernstson et al. (2010) and Andersson et al. (2014). These papers each take unique approaches that aim to uncover core properties—processes, structures, and actors—of urban systems and set them into mutual relationship. This piece will end with a forward-looking vision for the coming 50 years of urban sustainability and resilience study in Ambio.     

生物脱氮除磷活性污泥系统复合模拟方法

为避免繁琐的参数校核工作,提出了活性污泥2 d号模型(ASM2d)和人工神经网络(ANNs)相结合的复合模拟方法。考察了复合方法在某污水处理厂生物脱氮除磷工艺中的应用情况。研究表明,ANNs能够准确地模拟出水实测值与未经校核的ASM2d机理模型的估计值之间的差值。利用Levenberg-Marquardt算法,对出水氨氮、总氮和总磷分别建立网络结构为5-12-1、5-8-1和5-8-1的ANNs子模型,将这些子模型输出同ASM2d机理模型输出相加便得到复合模型输出。复合模型估计值对前10.4 d(ANNs子模型训练数据时段)出水氨氮、总氮和总磷浓度的拟合平均绝对百分比误差分别为0.267、0.055和0.048;其对后2.6 d(ANNs子模型测试数据时段)出水氨氮、总氮和总磷浓度的预测平均绝对百分比误差分别为0.332、0.083和0.069。均方根误差、平均绝对误差等评价指标也表明复合模型能够给出合理的模拟结果。     

Long-range transport potential of semivolatile organic chemicals in coupled air-water systems

Ongoing deliberations on the regulation of semivolatile organic chemicals require the assessment of chemical transport in atmospheric and marine systems. The characteristic travel distance was proposed as a measure for the transport potential in air and water. However, the existing definition treats the transport processes separately. It is shown that combined transport in coupled air-ocean systems can accelerate the overall transport into remote regions. Concentration ratios in air and water change with distance from sources depending on the initial concentration ratio and on the difference between the transport velocities. A measure is suggested facilitating the chemical screening with respect to transport potentials in such air-ocean systems. A case study for alpha and gamma-hexachlorocyclohexane shows that the suggested measure qualitatively reveals the transport potentials of these chemicals and exemplifies possible concentration patterns.     

Natural attenuation of chlorinated ethene compounds: model development and field-scale application at the Dover site

A multi-dimensional and multi-species reactive transport model was developed to aid in the analysis of natural attenuation design at chlorinated solvent sites. The model can simulate several simultaneously occurring attenuation processes including aerobic and anaerobic biological degradation processes. The developed model was applied to analyze field-scale transport and biodegradation processes occurring at the Area-6 site in Dover Air Force Base, Delaware. The model was calibrated to field data collected at this site. The calibrated model reproduced the general groundwater flow patterns, and also, it successfully recreated the observed distribution of tetrachloroethene (PCE), trichloroethene (TCE), dichloroethylene (DCE), vinyl chloride (VC) and chloride plumes. Field-scale decay rates of these contaminant plumes were also estimated. The decay rates are within the range of values that were previously estimated based on lab-scale microcosm and field-scale transect analyses. Model simulation results indicated that the anaerobic degradation rate of TCE, source loading rate, and groundwater transport rate are the important model parameters. Sensitivity analysis of the model indicated that the shape and extent of the predicted TCE plume is most sensitive to transmissivity values. The total mass of the predicted TCE plume is most sensitive to TCE anaerobic degradation rates. The numerical model developed in this study is a useful engineering tool for integrating field-scale natural attenuation data within a rational modeling framework. The model results can be used for quantifying the relative importance of various simultaneously occurring natural attenuation processes.     

The development and application of centrifugal flotation systems in wastewater treatment

Flotation as a wastewater treatment technique is designed to remove all particles generally encountered as very fine emulsions, suspended solids, and colloids from wastewater. Historically, Dissolved Air Flotation (DAF) has been used to achieve this removal. More recently, other flotation techniques such as induced air, electro, cavitational, and Centrifugal Flotation Systems (CFS) have been applied in wastewater treatment. CFS use centrifugal force to enhance mixing of particles and bubbles with treatment chemicals and accelerate solid/liquid separation. In the most recent design, centrifugal hydrocyclone mixing was combined with small dissolved-air flotation bubbles leading to the development of the hybrid, dissolved-air centrifugal flotation.     

基于生态足迹模型的浙江省可持续发展研究

基于废弃物处理技术与土地面积之间的关系,对Wackernagel等提出的生态足迹模型中废弃物账户的核算方法作了补充,并以浙江省为实例,分析了2003年浙江省可持续发展状况.结果表明,2003年浙江省人均生态足迹为1.70 hm2,人均生态承载力为0.42 hm2,人均生态赤字为1.28 hm2,生态需求与供给之间存在一定差距.     

Modeling urban films using a dynamic multimedia fugacity model

A thin film coats impervious urban surfaces that can act as a source or sink of organic pollutants to the greater environment. We review recent developments in the understanding of film and film-associated pollutant behavior and incorporate them into an unsteady-state version of the fugacity based Multimedia Urban Model (MUM), focusing on detailed considerations of surface film dynamics. The model is used to explore the conditions under which these atmospherically-derived films act as a temporary source of chemicals to the air and/or storm water. Assuming film growth of 2.1 nm d⁻¹ (Wu et al., 2008a), PCB congeners 28 and 180 reach air-film equilibrium within hours and days, respectively. The model results suggest that the film acts as a temporary sink of chemicals from air during dry and cool weather, as a source to air in warmer weather, and as a source to storm water and soil during rain events. Using the downtown area of the City of Toronto Canada, as a case study, the model estimates that nearly 1 g d⁻¹ of ∑₅PCBs are transferred from air to film to storm water.