QSAR trout toxicity models on aromatic pesticides

The pesticides originally designed to kill target organisms are dangerous for many other wild species. Since they are applied directly to the environment, they can easily reach the water basins and the topsoil. A dataset of 125 aromatic pesticides with well-expressed aquatic toxicity towards trout was subjected to quantitative structure activity relationships (QSAR) analysis aimed to establish the relationship between their molecular structure and biological activity. A literature data for LC₅₀ concentration killing 50% of fish was used. In addition to the standard 2D-QSAR analysis, a comparative molecular field analysis (CoMFA) analysis considering the electrostatic and steric properties of the molecules was also performed. The CoMFA analysis helped the recognition of the steric interactions as playing an important role for aquatic toxicity. In addition, the transport properties and the stability of the compounds studied were also identified as important for their biological activity.     

Value of information in product recovery decisions: a Bayesian approach

There is a widespread recognition of the need for better information sharing and provision to improve the viability of end-of-life (EOL) product recovery operations. The emergence of automated data capture and sharing technologies such as RFID, sensors and networked databases has enhanced the ability to make product information; available to recoverers, which will help them make better decisions regarding the choice of recovery option for EOL products. However, these technologies come with a cost attached to it, and hence the question ‘what is its value?’ is critical. This paper presents a probabilistic approach to model product recovery decisions and extends the concept of Bayes' factor for quantifying the impact of product information on the effectiveness of these decisions. Further, we provide a quantitative examination of the factors that influence the value of product information, this value depends on three factors: (i) penalties for Type I and Type II errors of judgement regarding product quality; (ii) prevalent uncertainty regarding product quality and (iii) the strength of the information to support/contradict the belief. Furthermore, we show that information is not valuable under all circumstances and derive conditions for achieving a positive value of information.     

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.     

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.     

Integrated economic-ecological analysis and evaluation of management strategies on nutrient abatement in the Rhine basin

Management of river basins involves the making of informed choices about the desired levels of economic activities and ecosystem functioning in the catchment. Information on the economic and ecological effects of measures as well as their spatial distribution is therefore needed. This paper proposes the following instruments to support decision-making in river basins: (1) the linking of models and indicators to describe the economic and ecological effects of management actions and their spatial distribution and (2) an extended evaluation framework that aims to evaluate management actions on three objectives for sustainable river management. These are cost-effectiveness, spatial equity, and environmental quality. This paper illustrates the potential of these instruments for river basin management by a case-study on nutrient management in the Rhine basin. In this case-study four nutrient abatement strategies are formulated, based on policies of the International Commission for the Protection of the Rhine and the North Sea Commission. These strategies are analysed and evaluated on their contribution to the three management objectives. Results show that none of these strategies score highest on cost-effectiveness, spatial equity and environmental quality simultaneously. It appears that cost-effectiveness is in conflict with environmental quality, whereas spatial equity and cost-effectiveness show quite close correspondence. This means that a trade-off has to be made between costs and spatial equity on the one hand, and environmental standards on the other hand. This paper offers a framework to make these trade-offs more explicit and provides quantitative information on cause-effect relationships, economic and environmental effects and the spatial distribution of these effects for various management strategies. This information can be particularly useful in the development of compromises required to establish international agreement and co-operation.     

Integrated Assessment of Air Pollution Abatement Strategies in Urban Areas: Application to the Greater Athens Area

This paper presents an integrated system for the assessmentof technical and non-technical measures that are putforward in order to reduce air pollution levels in urbanareas. In contrast to the majority of the currentlyemployed assessment tools, this system allows for theevaluation of any proposed air pollution control measure interms of its combined impact on air quality and socialwelfare, by correlating the environmental and economicaspects of alternative air pollution abatement solutions.Based on the multi-pollutant, multi-effect concept, thesystem presented aims in providing policy-makers with areliable tool for the objective assessment of the mostcost-effective packages of measures, the latter beingallocated according to the particular features and needs ofthe areas examined.     

CFD Prediction of Air Quality in the Area between Two City Vehicular Tunnels Considering Moving Cars

Concentration fields of different pollutants that spread outside two roadtunnels predicted with a CFD code will be presented. The solution domain represents the city area located between two tunnel outlets – tunnel Strahov and tunnel Mrazovka in Prague. The vicinity of both tunnels is a heavily built up area with tall buildings forming typical street canyons. The CFD modelling predicts the situation after the tunnel Mrazovka will be finished and traffic will increase considerably between both tunnels. Namely, an interest was given to the prediction of dispersion of emissions leaving both tunnel and the area touched by the traffic. For the CFD predictions, a method previously developed for moving vehicles was used. The method uses combination of Eulerian and Lagrangian approaches to moving objects and is capable of modeling different speeds and traffic rates of cars as well as traffic-induced turbulence. Influence of several meteorological parameters was studied, namely wind speed and direction and traffic parameters, like traffic rates and speed of cars. The method separates contributions from different sources to the total concentration field, namely from background, tunnel outlet and roadway. Results are presented in the form of horizontal and vertical concentration fields of NO_x.     

计算流体力学(CFD)中的迭代法及其并行计算方法

应用计算流体力学 (CFD)方法分析事故原因已被广泛采用 ,笔者针对事故理论分析和流体计算过程中 ,运用CFD方法所存在计算量大的问题 ,分析和讨论了几种古典迭代法及其并行计算方法     

The impact of global warming on winter tourism and skiing: a regionalised model for Austrian snow conditions

Possible climate change will modify snow-cover depth and change the characteristics of winter tourism and skiing districts. Our model describes seasonal snow-cover depth related to altitude in six Alpine climate regions as the best fit of all snow stations. Data cover 30 winter seasons (November to April values) from 1965 to 1995. We modified the data according to a scenario of temperature and precipitation change (2 °C warming, no precipitation change) and achieve a new simulated snow-cover depth. The indicators MARP (mean altitude of resident population) and MASPSL (mean altitude of starting point of ski lifts) serve as references for “critical altitudes” of Austrian districts. A warming implies a reduction of snow in all districts, but the loss is overproportional in lower altitudes. The direction of economic impacts is clear – income losses and adaptation costs – but magnitude and time frames remain uncertain. Received: 24 February 1999 · Accepted: 15 May 1999