Comparison of consumer attitudes between Cyprus and Latvia: An evaluation of effect of setting on consumer preferences in the water industry

This is the post-print version of the article. The official published version can be obtained from th link below - Copyright @ SpringerModels approaching consumer expectations of their water supplier from a risk perspective suggest that consumers primarily and overwhelmingly want safe drinking water supply. In this study consumer preferences in the water sector are investigated in two contrasting case studies: Cyprus, where there have been significant quantity and continuity of supply issues, and Riga, where there have been water quality issues. While water quality is undoubtedly the main priority of water consumers in Riga, in Cyprus consumers indicate that they prioritise a more reliable service even though many are sufficiently dissatisfied with water quality that they do not drink the tap water. The analysis of consumer attitudes in the two case studies suggests that when water supply is unreliable, reliability takes precedence; once it is reliable quality issues come to the fore.This research was carried out as part of Work Area 6 of the TECHNEAU project, an integrated project funded under FP6 of the European Commission, grant number: 018320

Lessons Learned from Efforts at Institutional Change: Case Studies of Six OCEPT Institutions

As one part of a multifaceted evaluation of the Oregon Collaborative for Excellence in the Preparation of Teachers (OCEPT), a case study approach was used to enable a deeper understanding of how a diverse group of six institutions attempted to achieve OCEPT goals and to learn more about factors that facilitated or hindered their efforts. Multiple sources of data were used, with heavy reliance on a series of on-site interviews. The analytical framework included a depth and pervasiveness typology of institutional change and a view of change as encompassing meaning, organization, and effects. While goals and accomplishment levels, as well as the depth and pervasiveness of change. varied across the six institutions, OCEPT-influenced changes most likely to be sustained included: new kinds and levels of faculty collaboration; peer-led teaching and learning approaches, and attention to evidence that these approaches positively affect student course performance; increased faculty awareness of their role in teacher recruitment, with related changes in classroom practices; and, continued strengthening of access to infomiation and academic advising for those preparing to become teachers. These institutions, however, did not make significant progress on one major goal of the project—to increase the numbers of underrepresented groups interested in teaching careers. Change was affected by the compatibility of OCEPT goals with institutional and faculty culture, as well as by local collaborative leadership, the size and complexity of the institution, the presence of boundary spanners, and how OCEPT resources were used

Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel

In order to investigate the initiation mechanisms and kinetics associated with the pyrolysis of JP-10 (exo-tricyclo[5.2.1.0^2,6]decane), a single-component hydrocarbon jet fuel, we carried out molecular dynamics (MD) simulations employing the ReaxFF reactive force field. We found that the primary decomposition reactions involve either (1) dissociation of ethylene from JP-10, resulting in the formation of a C8 hydrocarbon intermediate, or (2) the production of two C5 hydrocarbons. ReaxFF MD leads to good agreement with experiment for the product distribution as a function of temperature. On the basis of the rate of consumption of JP-10, we calculate an activation energy of 58.4 kcal/mol for the thermal decomposition of this material, which is consistent with a strain-facilitated C−C bond cleavage mechanism in JP-10. This compares well with the experimental value of 62.4 kcal/mol. In addition, we carried out ReaxFF MD studies of the reactive events responsible for oxidation of JP-10. Here we found overall agreement between the thermodynamic energies obtained from ReaxFF and quantum-mechanical calculations, illustrating the usefulness of ReaxFF for studying oxidation of hydrocarbons. The agreement of these results with available experimental observations demonstrates that ReaxFF can provide useful insights into the complicated thermal decomposition and oxidation processes of important hydrocarbon fuels

Infrastructure Hydromentalities:Water Sharing, Water Control and Water (In)Security

The purpose of this book is to present an overview of the latest research, policy, practitioner, academic and international thinking on water security—an issue that, like water governance a few years ago, has developed much policy awareness and momentum with a wide range of stakeholders. As a concept it is open to multiple interpretations, and the authors here set out the various approaches to the topic from different perspectives. Key themes addressed include: Water security as a foreign policy issue The interconnected variables of water, food, and human security Dimensions other than military and international relations concerns around water security Water security theory and methods, tools and audits. The book is loosely based on a masters level degree plus a short professional course on water security both given at the University of East Anglia, delivered by international authorities on their subjects. It should serve as an introductory textbook as well as be of value to professionals, NGOs, and policy-makers

The ReaxFF Monte Carlo Reactive Dynamics Method for Predicting Atomistic Structures of Disordered Ceramics: Application to the Mo_3VO_x Catalyst

The ReaxFF computational approach is used to resolve partial or mixed occupation of crystallographic sites of the Mo_3VO_x multimetal oxide (MMO) catalyst. It provides insight into the oxidation state and coordination environment of the metal sites, identifies donor-acceptor networks in the catalyst, and predicts selectivity for molecular diffusion into channels of the framework

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

To investigate the initial chemical events associated with high-temperature gas-phase oxidation of hydrocarbons, we have expanded the ReaxFF reactive force field training set to include additional transition states and chemical reactivity of systems relevant to these reactions and optimized the force field parameters against a quantum mechanics (QM)-based training set. To validate the ReaxFF potential obtained after parameter optimization, we performed a range of NVT−MD simulations on various hydrocarbon/O_2 systems. From simulations on methane/O_2, o-xylene/O_2, propene/O_2, and benzene/O_2 mixtures, we found that ReaxFF obtains the correct reactivity trend (propene > o-xylene > methane > benzene), following the trend in the C−H bond strength in these hydrocarbons. We also tracked in detail the reactions during a complete oxidation of isolated methane, propene, and o-xylene to a CO/CO_2/H_2O mixture and found that the pathways predicted by ReaxFF are in agreement with chemical intuition and our QM results. We observed that the predominant initiation reaction for oxidation of methane, propene, and o-xylene under fuel lean conditions involved hydrogen abstraction of the methyl hydrogen by molecular oxygen forming hydroperoxyl and hydrocarbon radical species. While under fuel rich conditions with a mixture of these hydrocarbons, we observed different chemistry compared with the oxidation of isolated hydrocarbons including a change in the type of initiation reactions, which involved both decomposition of the hydrocarbon or attack by other radicals in the system. Since ReaxFF is capable of simulating complicated reaction pathways without any preconditioning, we believe that atomistic modeling with ReaxFF provides a useful method for determining the initial events of oxidation of hydrocarbons under extreme conditions and can enhance existing combustion models

Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field

To investigate the failure of the poly(dimethylsiloxane) polymer (PDMS) at high temperatures and pressures and in the presence of various additives, we have expanded the ReaxFF reactive force field to describe carbon−silicon systems. From molecular dynamics (MD) simulations using ReaxFF we find initial thermal decomposition products of PDMS to be CH_3 radical and the associated polymer radical, indicating that decomposition and subsequent cross-linking of the polymer is initiated by Si−C bond cleavage, in agreement with experimental observations. Secondary reactions involving these CH_3 radicals lead primarily to formation of methane. We studied temperature and pressure dependence of PDMS decomposition by following the rate of production of methane in the ReaxFF MD simulations. We tracked the temperature dependency of the methane production to extract Arrhenius parameters for the failure modes of PDMS. Furthermore, we found that at increased pressures the rate of PDMS decomposition drops considerably, leading to the formation of fewer CH_3 radicals and methane molecules. Finally, we studied the influence of various additives on PDMS stability. We found that the addition of water or a SiO_2 slab has no direct effect on the short-term stability of PDMS, but addition of reactive species such as ozone leads to significantly lower PDMS decomposition temperature. The addition of nitrogen monoxide does not significantly alter the degradation temperature but does retard the initial production of methane and C_2 hydrocarbons until the nitrogen monoxide is depleted. These results, and their good agreement with available experimental data, demonstrate that ReaxFF provides a useful computational tool for studying the chemical stability of polymers

The science of contemporary street protest: new efforts in the United States

Since the inauguration of Donald Trump, there has been substantial and ongoing protest against the Administration. Street demonstrations are some of the most visible forms of opposition to the Administration and its policies. This article reviews the two most central methods for studying street protest on a large scale: building comprehensive event databases and conducting field surveys of participants at demonstrations. After discussing the broader development of these methods, this article provides a detailed assessment of recent and ongoing projects studying the current wave of contention. Recommendations are offered to meet major challenges, including making data publicly available in near real time, increasing the validity and reliability of event data, expanding the scope of crowd surveys, and integrating ongoing projects in a meaningful way by building new research infrastructure

Microwave Assisted Synthesis of Py-Im Polyamides

Microwave synthesis was utilized to rapidly build Py-Im polyamides in high yields and purity using Boc-protection chemistry on Kaiser oxime resin. A representative polyamide targeting the 5′-WGWWCW-3′ (W = A or T) subset of the consensus Androgen and Glucocorticoid Response Elements was synthesized in 56% yield after 20 linear steps and HPLC purification. It was confirmed by Mosher amide derivatization of the polyamide that a chiral α-amino acid does not racemize after several additional coupling steps

Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts

We have developed a new ReaxFF reactive force field to describe accurately reactions of hydrocarbons with vanadium oxide catalysts. The ReaxFF force field parameters have been fit to a large quantum mechanics (QM) training set containing over 700 structures and energetics related to bond dissociations, angle and dihedral distortions, and reactions between hydrocarbons and vanadium oxide clusters. In addition, the training set contains charge distributions for small vanadium oxide clusters and the stabilities of condensed-phase systems. We find that ReaxFF reproduces accurately the QM training set for structures and energetics of small clusters. Most important is that ReaxFF describes accurately the energetics for various oxidation states of the condensed phases, including V_2O_5, VO_2, and V_2O_3 in addition to metallic V(V^0). To demonstrate the capability of the ReaxFF force field for describing catalytic processes involving vanadium oxides, we performed molecular dynamics (MD) simulation for reactions of a gas of methanol exposed to the (001) surface of V_2O_5. We find that formaldehyde is the major product, in agreement with experiment. These studies find that water desorption from surface VIII sites is facilitated by interlayer bonding