Cyclodextrin-based supramolecular assemblies: a versatile toolbox for the preparation of functional porous materials

The discovery of ordered mesoporous materials in 1992 by Mobil Oil Corporation scientists has opened great opportunities for new applications in many emerging fields such as heterogeneous catalysis, biocatalysis, energy conversion, biosensors, photocatalytic devices and environmental technologies. Porous materials are grouped by the International Union of Pure and Applied Chemistry (IUPAC) into three classes according to their pore diameter: microporous (<?2 nm), mesoporous (2–50 nm) and macroporous (>?50 nm). One of the most versatile methods for the preparation of those materials is the soft template approach which combines the sol–gel process with molecular self-assembly. While the micelles formed by ionic or nonionic surfactants, as well as amphiphilic polymers, have been extensively used as templates, the supramolecular assemblies formed between cyclodextrins and block copolymers have been less investigated, despite their large chemical and structural diversity. This review article focuses mainly on nanostructured porous inorganic materials derived from cyclodextrins or cyclodextrin-based assemblies. More than 100 references are described and discussed, in which we look both at their synthesis and characterization, as well as their applications in the emerging fields of heterogeneous catalysis and photocatalysis. A special attention is paid to the evaluation of the critical parameters that need to be controlled for improving their (photo) catalytic performances.     

A closer look at BLEVE overpressure

The overpressure produced by the boiling liquid expanding vapor explosion (BLEVE) is still not well understood. Various methods have been published on the overpressure modeling in the far field. They mostly differ by the modeling of the expansion energy, used to scale the distance to the source where the overpressure needs to be calculated. But these methods usually include a experimentally fitted reduction factor, and are mostly overestimating the overpressures. Today there is a growing interest in modeling the BLEVE overpressure in the near field, for studying the blast effect on critical infrastructure such as bridges and buildings. This requires a much better understanding of the BLEVE blast. This paper goes deeper in the understanding of the physical phenomenon leading to the BLEVE blast wave generation and propagation. First, mid-scale BLEVE experiments in addition to new experimental data for near field blast from a small scale supercritical BLEVE are analyzed. And second, an analysis method of the shocks observed in the experiments is presented based on fundamental gas dynamics, and allows the elaboration of a new modeling approach for BLEVE overpressure, based on the calculation of the initial overpressure and radius of the blast.     

Safety assessment of the film boiling chemical vapor infiltration (FB-CVI) process through a system-theoretic accident model and process (STAMP)

Film boiling chemical vapor infiltration (FB-CVI) is considered as one of the fastest process methodologies for manufacturing carbon-carbon (C–C) composite products and possesses various advantages compared to conventional methodologies. However, there are safety concerns associated with this process for large-scale manufacturing, mainly owing to the intrinsic nature of the precursor and the process conditions. Considering the multifunctional interactions of the various systems during the process, a system-theoretic process analysis (STPA)/system theoretic accident model and process (STAMP) model is used to perform a safety analysis of the hazardous states of the FB-CVI process at the system level. As a case study, the FB-CVI process equipment employed for the manufacturing of C–C composites is considered. The safety constraints present in the system are assessed for adequacy through a hazard analysis by STPA/STAMP. The analysis through STPA/STAMP demonstrated the capability to create proactive strategies for the design and realization of process equipment that can be employed to manufacture C–C composite products through the FB-CVI process.     

Toward harmonizing prospective effectiveness assessment for road safety: Comparing tools in standard test case simulations

Abstract

Objective: With the overall goal to harmonize prospective effectiveness assessment of active safety systems, the specific objective of this study is to identify and evaluate sources of variation in virtual precrash simulations and to suggest topics for harmonization resulting in increased comparability and thus trustworthiness of virtual simulation-based prospective effectiveness assessment.

Methods: A round-robin assessment of the effectiveness of advanced driver assistance systems was performed using an array of state-of-the-art virtual simulation tools on a set of standard test cases. The results were analyzed to examine reasons for deviations in order to identify and assess aspects that need to be harmonized and standardized. Deviations between results calculated by independent engineering teams using their own tools should be minimized if the research question is precisely formulated regarding input data, models, and postprocessing steps.

Results: Two groups of sources of variations were identified; one group (mostly related to the implementation of the system under test) can be eliminated by using a more accurately formulated research question, whereas the other group highlights further harmonization needs because it addresses specific differences in simulation tool setups. Time-to-collision calculations, vehicle dynamics, especially braking behavior, and hit-point position specification were found to be the main sources of variation.

Conclusions: The study identified variations that can arise from the use of different simulation setups in assessment of the effectiveness of active safety systems. The research presented is a first of its kind and provides significant input to the overall goal of harmonization by identifying specific items for standardization. Future activities aim at further specification of methods for prospective assessments of the effectiveness of active safety, which will enhance comparability and trustworthiness in this kind of studies and thus contribute to increased traffic safety.     

Developing Effective Decision Support for the Application of “Gentle” Remediation Options: The GREENLAND Project

Gentle remediation options (GRO) are risk management strategies/technologies that result in a net gain (or at least no gross reduction) in soil function as well as risk management. They encompass a number of technologies, including the use of plant (phyto‐), fungi (myco‐), and/or bacteria‐based methods, with or without chemical soil additives or amendments, for reducing contaminant transfer to local receptors by in situ stabilization, or extraction, transformation, or degradation of contaminants. Despite offering strong benefits in terms of risk management, deployment costs, and sustainability for a range of site problems, the application of GRO as practical on‐site remedial solutions is still in its relative infancy, particularly for metal(loid)‐contaminated sites. A key barrier to wider adoption of GRO relates to general uncertainties and lack of stakeholder confidence in (and indeed knowledge of) the feasibility or reliability of GRO as practical risk management solutions. The GREENLAND project has therefore developed a simple and transparent decision support framework for promoting the appropriate use of gentle remediation options and encouraging participation of stakeholders, supplemented by a set of specific design aids for use when GRO appear to be a viable option. The framework is presented as a three phased model or Decision Support Tool (DST), in the form of a Microsoft Excel‐based workbook, designed to inform decision‐making and options appraisal during the selection of remedial approaches for contaminated sites. The DST acts as a simple decision support and stakeholder engagement tool for the application of GRO, providing a context for GRO application (particularly where soft end‐use of remediated land is envisaged), quick reference tables (including an economic cost calculator), and supporting information and technical guidance drawing on practical examples of effective GRO application at trace metal(loid) contaminated sites across Europe. This article introduces the decision support framework. ©2015 Wiley Periodicals, Inc.     

Quantifying the impact of vegetation-based metrics on species persistence when choosing offsets for habitat destruction

Developers are often required by law to offset environmental impacts through targeted conservation actions. Most offset policies specify metrics for calculating offset requirements, usually by assessing vegetation condition. Despite widespread use, there is little evidence to support the effectiveness of vegetation-based metrics for ensuring biodiversity persistence. We compared long-term impacts of biodiversity offsetting based on area only; vegetation condition only; area × habitat suitability; and condition × habitat suitability in development and restoration simulations for the Hunter Region of New South Wales, Australia. We simulated development and subsequent offsetting through restoration within a virtual landscape, linking simulations to population viability models for 3 species. Habitat gains did not ensure species persistence. No net loss was achieved when performance of offsetting was assessed in terms of amount of habitat restored, but not when outcomes were assessed in terms of persistence. Maintenance of persistence occurred more often when impacts were avoided, giving further support to better enforce the avoidance stage of the mitigation hierarchy. When development affected areas of high habitat quality for species, persistence could not be guaranteed. Therefore, species must be more explicitly accounted for in offsets, rather than just vegetation or habitat alone. Declines due to a failure to account directly for species population dynamics and connectivity overshadowed the benefits delivered by producing large areas of high-quality habitat. Our modeling framework showed that the benefits delivered by offsets are species specific and that simple vegetation-based metrics can give misguided impressions on how well biodiversity offsets achieve no net loss.     

Modeling of a sequencing batch reactor treating municipal wastewater using multi-layer perceptron and radial basis function artificial neural networks

A sequencing batch reactor was modeled using multi-layer perceptron and radial basis function artificial neural networks (MLPANN and RBFANN). Then, the effects of influent concentration (IC), filling time (FT), reaction time (RT), aeration intensity (AI), SRT and MLVSS concentration were examined on the effluent concentrations of TSS, TP, COD and NH₄⁺-N. The results showed that the optimal removal efficiencies would be obtained at FT of 1 h, RT of 6 h, aeration intensity of 0.88 m³/min and SRT of 30 days. In addition, COD and TSS removal efficiencies decreased and TP and NH₄⁺-N removal efficiencies did not change significantly with increases of influent concentration. The TSS, TP, COD and NH₄⁺-N removal efficiencies were 86%, 79%, 94% and 93%, respectively. The training procedures of all contaminants were highly collaborated for both RBFANN and MLPANN models. The results of training and testing data sets showed an almost perfect match between the experimental and the simulated effluent of TSS, TP, COD and NH₄⁺-N. The results indicated that with low experimental values of input data to train ANNs the MLPANN models compared to RBFANN models are more precise due to their higher coefficient of determination (R²) and lower root mean squared errors (RMSE) values.     

Modeling and simulation of offshore wind farm O&M processes

This paper describes a holistic approach to operation and maintenance (O&M) processes in the domain of offshore wind farm power generation. The acquisition and process visualization is followed by a risk analysis of all relevant processes. Hereafter, a tool was designed, which is able to model the defined processes in a BPMN 2.0 notation, as well as connect and simulate them. Furthermore, the notation was enriched with new elements, representing other relevant factors that were, to date, only displayable with much higher effort. In that regard a variety of more complex situations were integrated, such as for example new process interactions depending on different weather influences, in which case a stochastic weather generator was combined with the business simulation or other wind farm aspects important to the smooth running of the offshore wind farms. In addition, the choices for different methodologies, such as the simulation framework or the business process notation will be presented and elaborated depending on the impact they had on the development of the approach and the software solution.