Inter-comparisons of VOC oxidation mechanisms based on box model: A focus on OH reactivity

Volatile organic compounds (VOCs) oxidation processes play a very important role in atmospheric chemistry, and the chemical reactions are expressed in various manners in chemical mechanisms. To gain an improved understanding of VOCs evolution during oxidation processes and evaluate the discrepancies of VOCs oxidation schemes among different mechanisms, we used the total VOC reactivity as a diagnostic and evaluated tool to explore the differences for six widely used chemical mechanisms. We compared the total VOC reactivity evolution under high-NO_x conditions for several sets of precursors, including n-pentane, toluene, ethene, isoprene and a mixture of 57 Photochemical Assessment Monitoring Stations (PAMS) species in a 0-D photochemical box model. Inter-comparison of total VOC reactivity of individual precursor simulations showed discrepancies to different extent of the oxidation schemes among the studied mechanisms, which are mainly attributed to the different lumping approaches for organic species. The PAMS simulation showed smaller discrepancy than individual precursor cases in terms of total VOC reactivity. SAPRC07 and RACM2 performances are found to better match the MCM for simulation of total VOC reactivity. Evidences suggest that the performance in simulating secondary organic products, OH concentrations and NO_x concentrations are related to the OH reactivity discrepancies among various chemical mechanisms. Information in this study can be used in selection of chemical mechanisms to better model OH reactivity in different environments. The results in this study also provide directions to further improve the ability in modelling total VOC reactivity with the chemical mechanisms.     

Investigation of mercury (II) adsorption from aqueous solution onto copper oxide nanoparticles: Optimization using response surface methodology

Response surface methodology was practicable to optimize the mercury (II) removal using copper oxide nanoparticles in an aqueous matrice. The copper oxide nanoparticles structure was performed by TEM, SEM, XRD and BET. The experiment reactions were carried out based on a Box–Behnken design (BBD) and evaluated using RSM. Batch mode tests were conducted to prognosticate the adsorption equilibrium. The three parameters influence on the mercury removal was inquired by a response surface methodological approach. In study, influence of adsorbent dose, pH and temperature on the mercury removal unto copper oxide nanoparticles has been performed. The importance of the independent factors and their interactions were investigated by the ANOVA. The optimum pH, adsorbent dose and temperature were obtained to be 9.0, 0.05 g and 278 K, respectively.     

Comparison studies of adsorption properties of MgO nanoparticles and ZnO–MgO nanocomposites for linezolid antibiotic removal from aqueous solution using response surface methodology

In this investigation, the adsorption measure of linezolid antibiotic onto MgO nanoparticles and ZnO–MgO nanocomposites were performed. The adsorbents were characterized by different techniques such as XRD, SEM, TEM and BET. The parameters influence such as the pH, adsorbent dosage and temperature was tested and evaluated by Box–Behnken Design combined with response surface methodology. Performing adsorption tests at optimal conditions set as 0.5 g L⁻¹ of adsorbent, pH 10 and 308 K make admit to obtain high adsorption turnover (123.45 and 140.28 mg g⁻¹ for MgO nanoparticles and ZnO–MgO nanocomposites, respectively). A good compromise between predicted and experimental data in this research was observed. The experimental equilibrium data fitting to Langmuir, Freundlich, Tempkin and Dubinin–Radushkevich models indicate that the Langmuir model is a best model for evaluation of adsorption behavior. Kinetic evaluation of experimental data indicated that the adsorption operations followed well pseudo-second-order models. The adsorption capacity of ZnO–MgO nanocomposites is higher than MgO nanoparticles that because of the ZnO–MgO nanocomposites have high specific surface area.     

The degradation of dyestuffs: Part I Primary biodegradation under anaerobic conditions

The paper describes a method for measuring the primary biodegradability of water soluble dyestuffs under anaerobic conditions and gives the results obtained on 22 dyes of commercial significance.     

EU risk assessment guidelines

Regional PECs (Potential Environmental Concentrations) calculated with the software EUSES were compared with measured values using different emission and environmental distribution scenarios. The environmental data set recommended in EUSES (default data set) represents a generic standard region. In different scenarios the parameters of the generic region are replaced by concrete values, and estimated parameters (emissions, degradation rates and partition coefficients) are substituted by measured or investigated values. Deviations with regard to the measured values can be up to three orders of magnitude. Despite the basically conservative approximations, underestimations can occur. However, these are usually due to poor monitoring data or inappropriate input values. The use of regional data instead of default parameters only slightly ameliorates the results. The use of real emission and degradation rates alone can improve the results significantly.     

Impact of atmospheric deposition of anthropogenic and natural trace metals on Northwestern Mediterranean surface waters: a box model assessment

Under stratified oligotrophic conditions (May-November), the surface mixed layer of the Northwestern Mediterranean constitutes a homogeneous water volume of 10-30 m depth. In other respects, the mean residence time of Ligurian surface waters (0-200 m) is 102 days. It is therefore possible to quantify the extent to which atmospheric deposition of trace metals affects surface waters. On the basis of literature data on anthropogenic and natural trace metals, we demonstrate that the ratios between total seawater labile atmospheric deposition during 102 days (Δc) and dissolved TM concentrations in Ligurian surface waters (c) illustrate the impact of atmospheric deposition on surface seawater (Δc/c). High ratios indicate surface TM enrichments, while low ratios indicate surface TM depletion, due to the quasi-complete sorption and removal of TMs by plankton during spring bloom. The simple box model proposed here may be used for other marine regions where hydrodynamical and physico-chemical constraints are well defined.     

Effect of salt solution treatment on impurity removal: A case study on phosphogypsum

This study gives a brief demonstration of impurity removal efficiency upon salt solution treatment of phosphogypsum (PG). The experimental set up has been designed according to a multi-variable Box–Behnken Design (BBD) with stirring time, solid: liquid (PG:salt solution) ratio and temperature as the conducted in various salt solutions. PG sample has been treated with sea water, 5% NaCl and 10% NaCl solutions according to the BBD matrix. Fluoride (F), copper (Cu), manganese (Mn), and nickel (Ni) amounts in the PG sample have been measured upon pre- and post-treatment with salt solutions. Among other operating conditions, temperature has been the dominant factor on fluoride removal efficiency, and responses for the factors determined in the experiment runs indicated that a significant correlation could be established between temperature and fluoride removal, sea water being the most efficient salt solution. Higher copper, manganese, and nickel removal efficiencies have been observed in single salt NaCl solution systems however no significant correlation could be established between factors. Results indicate that pre-treatment of PG located near coastal regions with sea water can be a cost-effective approach and applicable on industrial scale when fluoride removal is of importance.     

Predicting preference for familiar,everyday objects: An experimental confrontation between two theories of aesthetic behaviour

The work reported compared the predictive ability of two theories of aesthetic behaviour, using normal, everyday objects. This involved utilizing simulated items of furniture in three experiments in which predictions deduced from the ‘collative-motivation’ model and what has been termed a ‘preference-for-prototypes’ model were made to compete empirically. For each of the five pairs of discrepant expectations formulated in the three experiments the outcomes were inconsistent with Berlyne's model, while supporting the prototypicality model. A number of theoretical implications are drawn from these findings.