Comparison of Microscopic and Macroscopic Modeling Approaches for Subsurface Contaminant Transport

The practice of contaminant transport and remediation has shown significant progress in recent years. However, despite the significant progress made, remediation efforts are often delayed by extremely long breakthrough curve tails that render efforts to bring the level of contaminants below the regulatory standards inefficient. One hypothesis is that these long tails are due to the reservoir-like slow diffusive processes in soil micropore zones. This study compares the effects of micropores at macroscopic and microscopic levels and establishes a link between these approaches for validation and calibration purposes. The link between macroscopic and microscopic levels is established through comparisons and testing of the two models while incorporating appropriate scale and boundary effects. Despite the differences in conceptual approaches and simulation time, the two approaches rendered meaningful results. The link helps forecast the effects of micropore zone transport processes in the subsurface efficiently and thus allows development of numerical tools that could contribute towards more efficient remediation design.     

Elemental Mercury Control by Novel Oxidant and Sorbent in an Entrained-Flow System

An entrained-flow system has been designed and constructed to simulate in-flight mercury capture by sorbents in ducts of coal-fired utility plants. The test conditions of 1.5 s residence time, 140°C temperature, 4.5 ppbv inlet Hg⁰ concentration, and 0–20 lb/MMacf sorbent injection rates were chosen to simulate conditions in the ducts. Novel oxidants developed in previous fixed-bed tests and novel sorbents derived from the novel oxidants were tested for their Hg⁰ capture in the entrained-flow system to examine the possibility of using those sorbents in a full-scale system. Darco-FGD and Darco Hg-LH served as benchmark sorbents with which mercury control capability of the novel oxidants and novel sorbents could be compared. The test results showed that the novel oxidants have remarkable Hg⁰ oxidation capability, and the novel sorbents showed a better performance in Hg⁰ removal than Darco Hg-LH.     

Substance Flow Analyses of Organic Pollutants in Stockholm

This paper summarizes substance flow analyses for four organic substances in the City of Stockholm, Sweden: diethylhexyl phthalate (DEHP), alkylphenolethoxylates (APEO), polybrominated diphenylethers (PBDE) and chlorinated paraffins (CP). The results indicate that the stocks of APEO, PBDE and CP all are approximately 200–250 tonnes, whereas the DEHP stock is two orders of magnitude larger. Emissions can be linked to imported consumer goods such as electronics (PBDE) and textiles (APEO), and to construction materials (DEHP, CP). For several of the substances considerable amounts remain in the technosphere for a long time, even after use of the substance in new products has been eliminated. For example, the use of DEHP as plasticizer for PVC plastics in cables and floorings has more or less been phased-out, but still these applications make up a stock of some 20,000 tonnes (85% of the total DEHP stock in Stockholm) and emit 28 tonnes of DEHP annually (93% of overall emissions). Likewise, the use of chlorinated paraffins in sealants has been radically reduced, but there are 170 tonnes of CP in sealants in Stockholm making up 75% of the stock, and causing half of the emissions to water and air. These emissions are likely to continue for decades, and the stocks therefore have to be considered when analysing and managing the impact of urban substance flows on the environment.     

Material Flows in Sweden 2004

This paper presents and discusses the method and results of account for material flows in Sweden for the year 2004. The results show that it is possible to compile material flow data from existing sources in the Swedish statistical system. By using the European classification system of goods, the Combined Nomenclature, as the basic unit of the data collection, both data collection and aggregation into material flow categories were made possible. Although these data exist in the statistical system, they are not easily available for the scientific community. This is due to several reasons, such as the aggregation of data in the system of statistics not corresponding to the material flow account structure and the fact that data on import and export of materials are organised differently than data for domestic extraction. Almost 50% of the material flows in Sweden are flows of minerals, mainly construction minerals followed by iron ores. Most of the extracted iron ores are exported. In comparison with other European countries this generates a unique situation with Sweden as the only net exporter of iron ores. The flow of biomass in terms of wood is also considerable (26% of the Swedish material flows in 2004). The domestic material consumption (inflow) per capita in 2004 was 8 tonnes minerals, 6 tonnes biomass and almost 3 tonnes of fossil fuels. Of the material flows of fossil fuels petroleum and natural gas dominates with 90%.     

Bacterial pretreatment enhances removal of heavy metals during treatment of post-methanated distillery effluent by Typha angustata L

A combination of bacterial pretreatment followed by free water surface flow through wetland plants was investigated to determine its effect on removal of heavy metals in bioremediation of post-methanated distillery effluent (PMDE). The bacterial pretreatment was intended to transform the metal complexes and organic pollutants into simpler, biologically assimilable molecules. The 10% and 30% v/v concentrations of PMDE favored luxuriant bacterial growth; the 50% concentration supported less growth, whereas the undiluted effluent (i.e., 100%) supported very little bacterial growth. The use of bacterial pretreatment combined with the constructed wetland system greatly increase the overall bioaccumulation of all heavy metals by the plants compared with the control treatment. However, the integration of bacterial pretreatment of PMDE with the Typha angustata resulted in enhanced removal of Cd (34.02–61.50% increase), Cr (35.90–57.60% increase), Cu (32.88–54.22% increase), Fe (32.50–51.26% increase), Mn (35.99–82.85% increase), Ni (35.85–59.24% increase), Pb (33.45–59.51% increase) and Zn (31.95–53.70% increase) compared with a control that lacked this pretreatment. In addition to the bioaccumulation of these heavy metals, several physico-chemical parameters also improved at the 30% effluent concentration: color, BOD, COD, phenol and total nitrogen decreased by 98.33%, 98.89%, 98.50%, 93.75% and 82.39%, respectively, after 7 days of free water surface flow treatment. The results suggest that bacterial pretreatment of PMDE, integrated with phytoremediation will improve the treatment process of PMDE and promote safer disposal of this waste.     

Towards a planning support system for environmental management and agri-environmental measures--the Colorfields study

The authors present the beginnings of a planning support system (PSS) for agri-environmental measures exemplified by a virtual implementation of Colorfields and blooming strips on model farms, based on real-world data. This paper starts with an introduction to the Colorfields, a concept for transdisciplinary and sustainable landscape design of set-aside land. Colorfields comprise of blooming strips of flowering annual or biennial plants, which are designed and drilled in pattern on fallow land creating Land Art. The temporary scenic arrangements of the Colorfields combine the advantages of ecological strips, e.g. providing habitats for insects (especially bees), improving soil fertility through the cultivation of intercrops, with improvements of the social recognition of farmers as producers of pleasant landscapes instead of monoculture fields.The prototype of the PSS uses two software tools of different scientific origin, the bio-economic modeling system MODAM and the landscape visualization system Lenné3D, which are linked based on geo-data. The resulting system helps to assess the economic effects and visualizes the effects of the specific landuse patterns under different scenarios.The economic assessment of blooming strips on arable land and of one Colorfield on fallow land shows that these measures prove to be profitable from an economic viewpoint assuming the current area payments for the obligatory European Union set-aside program. Furthermore, the visualizations enable the design to be tested virtually by exploring the resultant scenery. They provide artists, planners and stakeholders including farmers with a tool to virtually wander through landscape scenarios supporting a collaborative design and a shared vision for the community.The results of the two model farms and previous case studies for Colorfields demonstrate how current policy conditions could be used for the improvement of environmental and scenic qualities. Furthermore, the ability of the tools, MODAM and Lenné3D, suggests to support and promote these activities.     

Polar organic marker compounds in PM2.5 aerosol from a mixed forest site in western Germany

The molecular composition of PM2.5 (particulate matter with an aerodynamic diameter <2.5 microm) aerosol samples collected during a very warm and dry 2003 summer period at a mixed forest site in Jülich, Germany, was determined by gas chromatography/mass spectrometry in an effort to evaluate photooxidation products of biogenic volatile organic compounds (BVOCs) and other markers for aerosol source characterization. Six major classes of compounds represented by twenty-four individual organic species were identified and measured, comprising tracers for biomass combustion, short-chain acids, fatty acids, sugars/sugar alcohols, and tracers for the photooxidation of isoprene and alpha-/beta-pinene. The tracers for the photooxidation of alpha-/beta-pinene include two compounds, 3-hydroxyglutaric acid and 3-methyl-1,2,3-butanetricarboxylic acid, which have only recently been elucidated. The characteristic molecular distribution of the fatty acids with a strong even/odd number carbon preference indicates a biological origin, while the presence of isoprene and terpene secondary organic aerosol products suggests that the photooxidation of BVOCs contributes to aerosol formation at this site. The sum of the median concentrations of the isoprene oxidation products was 21.2 ng m(-3), while that of the terpene oxidation products was 19.8 ng m(-3). On the other hand, the high median concentration of malic acid (37 ng m(-3)) implies that photooxidation of unsaturated fatty acids should also be considered as an important aerosol source process. In addition, the occurrence of levoglucosan and pyrogallol indicates that the site is affected by biomass combustion. Their median concentrations were 30 and 8.9 ng m(-3), respectively.     

Ozonation of pentachlorophenol in unsaturated soils

A heterogeneous model was developed to describe interactions between ozone and hydrophobic organic compounds, exemplified by pentachlorophenol, in highly gas-saturated vadose zones where water moisture was limited to a thin film on soil particle surfaces. The soil was assumed to be free of soil organic matter. The model included a set of transient equations considering diffusion with simultaneous chemical reaction and hydrophobic partitioning. From dimensionless analysis, it was found that the film concentrations of ozone and the hydrophobic organic component were dependent on the Damk?hler numbers. Effects of Damk?hler numbers on the film profiles of components were examined. With the interfacial flux of ozone calculated from film profiles, dimensionless governing equations of ozone transport and contaminant removal across an experimental column were established. These equations were dependent on the Stanton number. One-dimensional column experiments were conducted to test the model. The optimal time for flow rate adjustment during the process was approximated. Finally, effects of ozone velocity and ozone gas concentration on the Stanton number were evaluated.     

An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis

This study presents an analysis of the ability of a two-parameter response surface, a multiple linear regression and a neural network model to produce global quantitative structure-activity relationships (QSARs) to predict the toxic potency of phenols to Tetrahymena pyriformis. The phenolic toxicity data set analysed is characterised by multiple mechanisms of toxic action. The study aimed to evaluate the confidence that can be applied to the modelling of the differing mechanisms of action. Assessment of confidence was decided in terms of whether the statistics for the global models reflect the ability of the QSARs to model the individual mechanisms of toxic action present in the data set. The results showed that the global statistics only reflected the ability of models to predict the two non-covalent mechanisms (polar narcosis and respiratory uncoupling), with the metabolically transformed and electrophilic mechanism (pre-electrophiles and soft electrophiles) being modelled poorly by all three model building methods. The results confirm the difficulty in modelling electrophilic mechanisms of toxic action. The results also highlight the fact that this poor predictivity is often 'hidden' in good statistical fit of some global models. In particular these results emphasise that for practical predictive purposes the mechanistic applicability domain is required to give confidence to estimated toxicity values.