Modelling nitrogen fluxes at the landscape scale

The distribution and impacts of different nitrogen pollutants are inextricably linked. To understand the problem fully, the interactions between the different pollutants need to be taken into account. This is particularly important when it comes to abatement techniques, since measures to reduce emissions of one nitrogen pollutant can often lead to an increase in another. This project represents a step towards greater understanding of these issues by linking together new and existing nitrogen flux models into a larger framework. The modelling framework has been constructed and some of the nitrogen flows between fields, farms and the atmosphere have been modelled for a UK study area for typical farm management scenarios.     

Three-Dimensional Modelling of Concentration Fluctuations in Complicated Geometry

The strong fluctuating component in the measured concentration time series of a dispersing gaseous pollutant in the atmospheric boundary layer, and the hazard level associated to short-term concentration levels, demonstrate the necessity of calculating the magnitude of turbulent fluctuations of concentration using computational simulation models. Moreover the computation of concentration fluctuations in cases of dispersion in realistic situations, such as built-up areas or street canyons, is of special practical interest for hazard assessment purposes. In this paper, the formulation and evaluation of a model for concentration fluctuations, based on a transport equation, are presented. The model is applicable in cases of complex geometry. It is included in the framework of a computational code, developed for simulating the dispersion of buoyant pollutants over complex geometries. The experimental data used for the model evaluation concerned the dispersion of a passive gas in a street canyon between 4 identical rectangular buildings performed in a wind tunnel. The experimental concentration fluctuations data have been derived from measured high frequency concentrations. The concentration fluctuations model is evaluated by comparing the model's predictions with the observations in the form of scatter plots, quantile-quantile plots, contour plots and statistical indices as the fractional bias, the geometrical mean variance and the factor-of-two percentage. From the above comparisons it is concluded that the overall model performance in the present complex geometry case is satisfactory. The discrepancies between model predictions and observations are attributed to inaccuracies in prescribing the actual wind tunnel boundary conditions to the computational code.     

Accidental release: Fuzzy selection of adequate formal model

Risk assessment of a chemical process plant requires the application of a variety of consequence models in order to estimate the potential physical effects of accidental releases. The types of models required vary depending upon the substance under consideration and the circumstances of a release. The objective of this study was the development and application of a system based upon ‘fuzzy logic’, for the selection of a computer model to be used in consequence analysis in specific situations where only certain types of consequence models can be used. The collection of data for modelling purposes from different kinds of computer model and application of fuzzy methods were also important aims of the study.     

Fault-dynamic modelling of a phthalic anhydride reactor

A new methodology, fault-dynamic modelling, has been developed for analysis of potentially hazardous situations in the process industries. Traditional fault-tree analysis is used to determine the combinations of component failure that can lead to a particular process upset condition. Realistic dynamic modelling is then used to calculate the time available for corrective action once the upset has started. The method is applied to a phthalic anhydride reactor. The results of the analysis identify three process upsets that can lead to catastrophic failure in 2–5 min if left uncorrected. Other process upsets lead to safe conditions.     

Local and regional variability in snow conditions in northern Finland: A reindeer herding perspective

Weather station measurements were used to force the SNOWPACK snow model and combined with reindeer herders’ experiences to study the local and regional variations in snow conditions in a Finnish reindeer herding area for the 1981–2010 period. Winter conditions varied significantly between the four selected herding districts and between open and forest environments within the districts. The highest snow depths and densities, the thicknesses of ground ice, and the lengths of snow cover period were generally found in the northernmost districts. The snow depths showed the strongest regional coherence, whereas the thicknesses of ground ice were weakly correlated among the districts. The local variation in snow depths was higher than the regional variation and limits for rare or exceptional events varied notably between different districts and environments. The results highlight that forests diversify snow and foraging conditions, e.g., ground ice rarely forms simultaneously in different environments. Sufficient and diverse forest pastures are important during the critical winter season if reindeer herding is pursued on natural grazing grounds also in the future.     

Long-term geochemical evolution of the near field repository: insights from reactive transport modelling and experimental evidences

The KBS-3 underground nuclear waste repository concept designed by the Swedish Nuclear Fuel and Waste Management Co. (SKB) includes a bentonite buffer barrier surrounding the copper canisters and the iron insert where spent nuclear fuel will be placed. Bentonite is also part of the backfill material used to seal the access and deposition tunnels of the repository. The bentonite barrier has three main safety functions: to ensure the physical stability of the canister, to retard the intrusion of groundwater to the canisters, and in case of canister failure, to retard the migration of radionuclides to the geosphere. Laboratory experiments (< 10 years long) have provided evidence of the control exerted by accessory minerals and clay surfaces on the pore water chemistry. The evolution of the pore water chemistry will be a primordial factor on the long-term stability of the bentonite barrier, which is a key issue in the safety assessments of the KBS-3 concept.In this work we aim to study the long-term geochemical evolution of bentonite and its pore water in the evolving geochemical environment due to climate change. In order to do this, reactive transport simulations are used to predict the interaction between groundwater and bentonite which is simulated following two different pathways: (1) groundwater flow through the backfill in the deposition tunnels, eventually reaching the top of the deposition hole, and (2) direct connection between groundwater and bentonite rings through fractures in the granite crosscutting the deposition hole. The influence of changes in climate has been tested using three different waters interacting with the bentonite: present-day groundwater, water derived from ice melting, and deep-seated brine. Two commercial bentonites have been considered as buffer material, MX-80 and Deponit CA-N, and one natural clay (Friedland type) for the backfill. They show differences in the composition of the exchangeable cations and in the accessory mineral content. Results from the simulations indicate that pore water chemistry is controlled by the equilibrium with the accessory minerals, especially carbonates. pH is buffered by precipitation/dissolution of calcite and dolomite, when present. The equilibrium of these minerals is deeply influenced by gypsum dissolution and cation exchange reactions in the smectite interlayer. If carbonate minerals are initially absent in bentonite, pH is then controlled by surface acidity reactions in the hydroxyl groups at the edge sites of the clay fraction, although its buffering capacity is not as strong as the equilibrium with carbonate minerals. The redox capacity of the bentonite pore water system is mainly controlled by Fe(II)-bearing minerals (pyrite and siderite). Changes in the groundwater composition lead to variations in the cation exchange occupancy, and dissolution–precipitation of carbonate minerals and gypsum. The most significant changes in the evolution of the system are predicted when ice-melting water, which is highly diluted and alkaline, enters into the system. In this case, the dissolution of carbonate minerals is enhanced, increasing pH in the bentonite pore water. Moreover, a rapid change in the population of exchange sites in the smectite is expected due to the replacement of Na for Ca.     

Random walk modeling of wake dispersion for the exhaust tower of an underground tunnel in urban area

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Trihalomethanes in Drinking Water of Greater Québec Region (Canada): Occurrence, Variations and Modelling

The levels of trihalomethanes (THMs) – the main species of by-product from water chlorination – were monitored in thedistribution systems of the five major drinking water utilitiesof the greater area of Québec City in order to investigate andmodel their occurrence on a spatial and seasonal basis. Data forTHMs and other water quality and operational parametersassociated with their formation were generated through a 16 monthsampling program involving several sites representing variablewater residence times, from the plant to the system extremity.The results demonstrate that the differences in measured THMlevels between the five utilities are mainly due to the variablequality of raw waters, the type of water treatment process beingused and the type and levels of applied disinfectant. Dependingon the utility, average THM levels were from 1.3 to 2.5 timeshigher in the system extremities than in the water leaving thetreatment plant. Also, average levels of THMs measured in summerat the distribution system extremities were, depending on theutility, from 2.5 to 5 times higher than the average levelsmeasured in winter. The seasonal differences were found to besignificantly greater than those observed by others in waterutilities in the United States and Europe and are explained inlarge part by the considerable changes, over the year, in thequality and temperature of surface waters in Southern Québec. Forthe five utilities under study, multivariate regression modelswere developed in order to predict spatial and seasonalvariations of THMs. Both residual chlorine demand and temperaturewere found to be better, statistically, as predictors for THMoccurrence. The usefulness of the developed models for routineand long term water quality management, as well as for assessmentof human exposure to THMs, are also discussed.     

Modelling spills of water-reactive chemicals

This paper describes part of a programme of work undertaken at the Health and Safety Laboratory (HSL) to investigate the behaviour of selected water-reactive chemicals. Following an accidental release, such substances react exothermically with any water present, generating acidic vapours. The STAWaRS (Source Term Assessment of Water Reactive Substances) software was developed for the Health and Safety Executive (HSE) by ESR Technology to model this complex process. The aims of the study described here were to provide experimental validation of the heats of hydrolysis used within STAWaRS, and to perform sensitivity studies on selected STAWaRS input parameters.The heat of hydrolysis of acetyl chloride was measured and showed good correlation with the value used within STAWaRS. Some of the variables that influence the severity of acetyl chloride spills are examined, with reference to predictions made by the STAWaRS model. The heats of hydrolysis of titanium tetrachloride previously measured at HSL are also discussed, and the effect of adopting these experimentally derived values for modelling spills is shown for a hypothetical land use planning case. This study demonstrates the importance of using experimentally validated values for STAWaRS input parameters.     

A spatial-statistical approach for modeling the effect of non-point source pollution on different water quality parameters in the Velhas river watershed--Brazil

In this article, a methodology for evaluating the effect of land use/land cover on the quality of nearby stream water in a semiarid environment is described and tested on a large watershed in Southeastern Brazil. The approach aims at identifying the width of the riparian area having the strongest effect on different water quality parameters. The land use/land cover data were generated from remotely sensed data while water quality point data were supplied by a government agency. Testing was conducted for both the rainy and dry seasons in an effort to understand the direct effect of surface runoff. The approach combines cartographic modelling using a geographical information system (GIS) and statistics to establish the strength of the relationship between water quality, land use and the distance from the stream. Results suggest a strong relationship between land use/land cover and turbidity, nitrogen and fecal coliforms. They also suggest that each of these parameters has a unique behavior when distance from the stream is considered. Finally, although it was expected that the models would apply better during the wet season, some parameters had the opposite behavior and displayed a better fit during the dry season.