Inferring chemical effects on carbon flows in aquatic food webs: Methodology and case study

The majority of ecotoxicological enclosure experiments monitor species abundances at different chemical concentrations. Here, we present a new modelling approach that estimates changes in food web flows from such data and show that population- and food web level effects are revealed that are not apparent from abundance data alone. For the case of cypermethrin in freshwater enclosures, photosynthesis and excretion (d⁻¹) of phytoplankton at 3.643 μg L⁻¹ cypermethrin were 30% lower and 100% higher than in the control, respectively. The ingestion rate of mesozooplankton (d⁻¹) was 6 times higher in the treated enclosures than in the control as food concentration increased with insecticide exposure. With increasing cypermethrin concentrations, nanoflagellates progressively relied on phytoplankton as their main food source, which rendered the food web less stable. We conclude that this tool has excellent potential to analyse the wealth of enclosure data as it only needs species abundance and general constraints.     

The contribution of ship emissions to air pollution in the North Sea regions

As a consequence of the global distribution of manufacturing sites and the increasing international division of labour, ship traffic is steadily increasing and is becoming more and more important as an origin of air pollution.This study investigates the impact of ship emissions in coastal areas of the North Sea under conditions of the year 2000 by means of a regional chemistry transport model which runs on a sufficiently high resolution to study air pollution in coastal regions. It was found that northern Germany and Denmark in summer suffer from more than 50% higher sulphate, nitrate and ammonium aerosol concentrations due to contributions from ships. The implementation of a sulphur emission control area (SECA) in the North Sea, as it was implemented at the end of 2007, directly results in reduced sulphur dioxide and sulphate aerosol concentrations while nitrate aerosol concentrations are slightly increased.     

印刷环节挥发性有机物无组织排放特征测定研究

对使用溶剂型油墨的凹版印刷设备和使用水性油墨的柔版印刷设备无组织排放的挥发性有机物(VOCs)浓度进行了实际监测,并采用计算流体动力学模拟无组织排放VOCs的收集效率。结果表明：(1)使用溶剂型油墨的凹版连续印刷过程非甲烷总烃(NMHC)最高均值达到5 975.67 mg/m³,约为使用水性油墨的柔版印刷(191.67 mg/m³)的31.2倍。虽然使用水性油墨可明显降低NMHC的排放,但其操作空间的浓度依然存在超过《工作场所有害因素职业接触限值第1部分：化学有害因素》(GBZ 2.1—2019)的现象。(2)印刷车间应该设置专门的调墨室,能缓解印刷车间内挥发性污染气体浓度的波动。(3)计算流体动力学模拟显示,设置合理的集气罩可有效降低VOCs的无组织排放,收集效率为70%～75%。     

Numerical simulation of water curtain application for ammonia release dispersion

Using water curtain system to forced mitigate ammonia vapor cloud has been proven to be an effective measure. Currently, no engineering guidelines for designing an effective water curtain system are available, due to lack of understanding of complex interactions between ammonia vapor cloud and water droplets, especially the understanding of ammonia absorption into water droplets. This paper presents numerical calculations to reproduce the continuous ammonia release dispersion with and without the mitigating influence of a downwind water curtain using computational fluid dynamic (CFD) software ANSYS Fluent 14.0. The turbulence models k–ɛ and RNG were used to simulate the ammonia cloud dispersion without downwind water curtain. The simulated results were compared with literature using the statistical performance indicators. The RNG model represents better agreement with the experimental data and the k–ɛ model generates a slightly lesser result. The RNG model coupled with Lagrangian discrete phase model (DPM) was used to simulate the dilution effectiveness of the water curtain system. The ammonia absorption was taken into account by means of user-defined functions (UDF). The simulated effectiveness of water curtains has good agreements with the experimental results. The effectiveness of water mitigation system with and without the ammonia absorption was compared. The results display that the effectiveness mainly depends on the strong air entrainment enhanced by water droplets movement and the ammonia absorption also enhances the effectiveness of water curtain mitigation system. The study indicates that the CFD code can be satisfactorily applied in design criteria for an effective mitigation system.     

Improving inverse model fitting in trees—Anisotropy,multiplicative effects,and Bayes estimation

Model fitting for individual-based effects in forests has some problems. Because samples measuring the separate influence of each individual are rarely available, the measured value in the sample represents the influence of all surrounding individual trees. Therefore, it is helpful to build inverse models that use the spatial pattern of the variable as well as that of the source trees. For example, since seed dispersal is influenced by wind effects, a model is discussed describing anisotropic effects to ensure an unbiased estimate of the total fruit number. Further, we present a model describing the absorption of radiation by trees. In this case a multiplicative combination of individual effects yields the total effect. Our approach uses logarithmic transformations of the original data to model multiplicative combinations as sum of transformed single effects. For fitting model parameters we propose an approach based on Bayesian statistics, to ensure ecologically interpretable parameters.     

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.