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Found 29 results.

First-principles kinetic modeling for solar hydrogen production

The development of sustainable and efficient energy conversion processes at interfaces is at the center of the rapidly growing field of basic energy science. How successful this challenge can be addressed will ultimately depend on the acquired degree of molecular-level understanding. In this respect, the severe knowledge gap in electro- or photocatalytic conversions compared to corresponding thermal processes in heterogeneous catalysis is staggering. This discrepancy is most blatant in the present status of predictive-quality, viz. first-principles based modelling in the two fields, which largely owes to multifactorial methodological issues connected with the treatment of the electrochemical environment and the description of the surface redox chemistry driven by the photo-excited charges or external potentials.Successfully tackling these complexities will advance modelling methodology in (photo)electrocatalysis to a similar level as already established in heterogeneous catalysis, with an impact that likely even supersedes the one seen there in the last decade. A corresponding method development is the core objective of the present proposal, with particular emphasis on numerically efficient approaches that will ultimately allow to reach comprehensive microkinetic formulations. Synergistically combining the methodological expertise of the two participating groups we specifically aim to implement and advance implicit and mixed implicit/explicit solvation models, as well as QM/MM approaches to describe energy-related processes at solid-liquid interfaces. With the clear objective to develop general-purpose methodology we will illustrate their use with applications to hydrogen generation through water splitting. Disentangling the electro- resp. photocatalytic effect with respect to the corresponding dark reaction, this concerns both the hydrogen evolution reaction at metal electrodes like Pt and direct water splitting at oxide photocatalysts like TiO2. Through this we expect to arrive at a detailed mechanistic understanding that will culminate in the formulation of comprehensive microkinetic models of the light- or potential-driven redox process. Evaluating these models with kinetic Monte Carlo simulations will unambiguously identify the rate-determining and overpotential-creating steps and therewith provide the basis for a rational optimization of the overall process. As such our study will provide a key example of how systematic method development in computational approaches to basic energy sciences leads to breakthrough progress and serves both fundamental understanding and cutting-edge application.

Forest functions arrangement with the CBD's Ecosystem Approach - A study on the Bengawan Solo River Basin, Java, Indonesia

The natural capital of forests consists to a great extend of the forests environmental functions for human well-being, which not only include goods and services (source and sink functions) but also include life-support functions that reflect ecosystem performance (ecosystem functioning). Shifting the management approach from a traditional one to one that is more aware of the ecosystem complexity, the idea of 'ecosystem functioning is appearing to tackle gradual declines of ecosystem functions. Within CBDs framework, the Ecosystem Approach has been introduced on account of the necessity for open decision making with strong links between all stakeholders and the latest scientific knowledge due to uncertainty and unpredictability in nature. The Ecosystem Approach is still in need of further elaboration, even though as a concept Ecosystem Approach has been widely accepted. To aim forest enhancement, this approach has been regarded as the most feasible concept for the study area, the Bengawan Solo River Basin - Java, Indonesia. Therefore the principles and operational guidelines will be used to analyse and evaluate the current forest management in those areas of the Bengawan Solo River Basin, in which ecosystem function is the basis for forest development area. This research focuses on ecological functions of forests at various levels of ecosystem management planning, from the forestry sectors point of view.

International Collaboration in Chemistry: First Principles Multi-Lattice Kinetic Monte Carlo Simulations of NOx Storage Reduction Catalysts

The broad objective of the research is to gain a fundamental understanding of the surface reaction chemistry of exhaust catalysts operating under cycling conditions. Using an integrated theoretical approach we specifically target NOx abatement, with particular emphasis on the appearance and destruction of surface oxide phases as the reactor conditions cycle from oxidative to reductive during the operation of the NOx Storage Reduction (NSR) catalyst system. Methodologically this requires material-specific, quantitative and explicitly time-dependent simulation tools that can follow the evolution of the system over the macroscopic time-scales of NSR cycles, while simultaneously accounting for the atomic-scale site heterogeneity and spatial distributions at the evolving surface. To meet these challenging demands we will develop a novel multi-scale methodology relying on a multi-lattice first-principles kinetic Monte Carlo (kMC) approach. As representative example the simulations will be carried out on a PdO(101)/Pd(100) surface oxide model, but care will be taken to ensure a generalization of the multi-lattice first-principles kMC approach to other systems in which phase transformations may occur and result in a change in the surface lattice structure depending upon environmental variables.

Sustainable Water Resources Management in the Yanqi Basin, Sinkiang, China

Irrigation in the Yanqi Basin, Sinkiang, China has led to water table rise and soil salination. A model is used to assess management options. These include more irrigation with groundwater, water saving irrigation techniques and others. The model relies on input data from remote sensing.The Yanqi Basin is located in the north-western Chinese province of Xinjiang.This agriculturally highly productive region is heavily irrigated with water drawn from the Kaidu River. The Kaidu River itself is mainly fed by snow and glacier melt from the Tian Mountain surrounding the basin. A very poor drainage system and an overexploitation of surface water have lead to a series of environmental problems: 1. Seepage water under irrigated fields has raised the groundwater table during the last years, causing strongly increased groundwater evaporation. The salt dissolved in the groundwater accumulates at the soil surface as the groundwater evaporates. This soil salinization leads to degradation of vegetation as well as to a loss of arable farmland. 2. The runoff from the Bostan Lake to the downstream Corridor is limited since large amount of water is used for irrigation in the Yanqi Basin. Nowadays, the runoff is maintained by pumping water from the lake to the river. The environmental and ecological system is facing a serious threat.In order to improve the situation in the Yanqi Basin, a jointly funded cooperation has been set up by the Institute of Environmental Engineering, Swiss Federal Institute of Technology (ETH) , China Institute of Geological and Environmental Monitoring (CIGEM) and Xinjiang Agricultural University. The situation could in principle be improved by using groundwater for irrigation, thus lowering the groundwater table and saving unproductive evaporation. However, this is associated with higher cost as groundwater has to be pumped. The major decision variable to steer the system into a desirable state is thus the ratio of irrigation water pumped from the aquifer and irrigation water drawn from the river. The basis to evaluate the ideal ratio between river and groundwater - applied to irrigation - will be a groundwater model combined with models describing the processes of the unsaturated zone. The project will focus on the following aspects of research: (...)

Trees outside forest: Assessment

Tree resources outside the forest (TOF) serve a number of ecological and socio-economic functions, similar in principle, but different in extent to the functions of forest. This resource is not yet fully recognized in natural resources assessments, particularly on a regional level. Many people in particular in the Tropics depend directly on this resource. For TOF sustainability, politics and management options must be developed and implemented. It means that good information about the assessment of this resource must be available. In this project, options of TOF assessment and mapping on a regional basis will be developed based in the results of earlier studies of the TROF project (EU- INCO DC Program. Contract No ERBIC18 CT98 0323) and others research projects experiences in Latin America. Objectives: To develop an approach to the TOF assessment and mapping on a regional basis.

Assessment of Effects of EU Aflatoxin Standards along Cereals Value Chain in Russia: German Methodological Proficiency Complemented by Russian Local Knowledge

Globalization raised the importance of food safety and quality concerns. Developed countries implement precautionary food regulation policies to protect their affluent consumers from unsafe food imported from developing and transition countries. However, the alarming number of trade disputes at WTO evidences cases of abuse of such policies. While claims on protectionist nature of food regulations are valid in principle, yet there is little empirical evidence about their economic effects. The questions of 1) quantification of trade impact of food standards and 2) investigation of national food regulation systems are absolutely essential for the new trade agenda. These problems for developing countries are on the focus of trade policy debate, whereas for transition countries are not considered seriously. Such a research for these recently liberalized markets gains a special significance. - The proposed research will employ Gravity Model for quantitative estimation of impact of EU aflatoxin standards on transition countries- exports.- Russian food regulations for cereal value chain, their enforcement and monitoring mechanisms will be investigated through value chain and cost-benefit analysis.- Compliance of Russian norms with EU standards will be estimated applying comparative advantage analysis.The study area is Stavropol region of the Russian Federation. Local experts will contribute to the construction of the research data set and analysis. The results of the research will assist 1) international policy makers in designing new global trade agenda and 2) Russian producers, exporters and decision makers in improving cereal value chain.

Nanopore Sensing

Nanofabricated pores in 20 nm-thick silicon nitride membranes were used to probe various protein analytes as well as to perform an antigen-antibody binding assay. A two-compartment electrochemical cell was separated by a single nanopore, 28 nm in diameter. Adding proteins to one compartment caused current perturbations in the ion current flowing through the pore. These perturbations correlated with both the charge and the size of the protein or of a protein-protein complex. The potential of this nanotechnology for studying protein-protein interactions is highlighted with the sensitive detection of -human chorionic gonadotropin, a hormone and clinical biomarker of pregnancy, by monitoring in real time and at a molecular level the formation of a complex between hormones and antibodies in solution. In this form, the assay compared advantageously to immunoassays, with the important difference that labels, immobilization, or amplification steps were no longer needed. In conclusion, we present proof-of-principle that properties of proteins and their interactions can be investigated in solution using synthetic nanopores and that these interactions can be exploited to measure protein concentrations accurately.

Integratives nachhaltiges Wildtier-management im Biosphärenpark Wienerwald

Wildtiere (Arten, Populationen, Individuen, Lebensräume, genetische Vielfalt) werden neben der Jagd von vielen anderen Landnutzungsaktivitäten beeinflusst, die sich im Wildlebensraum vielfach überlagern und oftmals miteinander konkurrieren. Insbesondere in Mehrfachnutzungs-Kulturlandschaften, wie dem Biosphärenpark Wienerwald, können die resultierenden Wechselwirkungen zwischen den Lebensraumansprüchen von Wildtieren, jagdlichen Nutzungsinteressen und anderen Landnutzungsansprüchen oftmals zu Konflikten führen, die der nachhaltigen Erhaltung heimischer Wildtierarten und ihrer Lebensräume, der Nachhaltigkeit der beteiligten Landnutzungen und einer nachhaltigen regionalen Entwicklung insgesamt abträglich sein können. Sektorale Nachhaltigkeitsansätze alleine sind unzureichend und können sogar unbeabsichtigte negative Auswirkungen auf andere Landnutzungen und auf das betreffende Ökosystem haben. Der nachhaltige Umgang mit Wildtieren kann letztlich nur gelingen, wenn alle im Wildlebensraum agierenden Nutzergruppen sich der Auswirkungen ihrer Tätigkeiten auf die Ressource 'Wildtier' sowie auf die jeweils anderen Nutzergruppen bewusst sind. Am Beispiel von 'Wildtieren und Jagd' wurden daher im Biosphärenpark Wienerwald modellhaft Konzepte, Inhalte und Instrumente für eine integrative, d. h. sektorübergreifend abgestimmte Nachhaltigkeitsbeurteilung mehrerer Landnutzergruppen entwickelt. Mittels angewandter und partizipativer Forschungsmethoden (Experteninterviews, breite Nutzerbefragungen, projektbegleitende Partizipation) wurden zentrale Schnittstellen (Antagonismen, Synergiepotenziale) zwischen Wildtieren, Jagd und weiteren regionalen Landnutzungen identifiziert, analysiert und bewertet. Als zentrales Ergebnis liegen sektorübergreifend abgestimmte Sets von Prinzipien, Kriterien und Indikatoren für ein integratives nachhaltiges Wildtiermanagement im Biosphärenpark Wienerwald vor. Die Bewertungssets dienen der Selbstbewertung wesentlicher regionaler Nutzergruppen (Forstwirtschaft, Landwirtschaft, Jagd, Freizeit- und Erholungsmanagement) und ermöglichen es diesen, jeweils eigene Einflussmöglichkeiten auf die nachhaltige Erhaltung von Wildtierarten, deren Lebensräumen und eine nachhaltige Jagd selbst zu überprüfen. Nachhaltigkeitsanforderungen anderer Nutzergruppen wurden dabei jeweils berücksichtigt. Somit wurde am Beispiel der stark vernetzten Thematik 'Umgang mit Wildtieren' erstmals der Schritt von der rein sektorbezogenen hin zu einer sektorübergreifend abgestimmten Erfassung der Nachhaltigkeit vollzogen. Weiters wurden Empfehlungen für ein integratives nachhaltiges Wildtiermanagement sowie für ein diesbezügliches Monitoring ausgearbeitet. Die Projektergebnisse sollen dazu beitragen, Wildtiere und deren Management möglichst konfliktfrei in eine nachhaltige Landnutzung im Biosphärenpark Wienerwald zu integrieren. Die Vollversion des Endberichtes samt Anhängen ist als Download-Publikation auf der Homepage der Österreichischen Akademie der Wissenschaften

Energy and Water Fluxes at the Soil Atmosphere Interface of Water Repellent soils

Water repellency (WR) plays a significant role in a large number of soils all over the world. In many regions global warming will lead to drier land surfaces and thus, increasing the likeliness of actual water repellency for such soils. The hydrological effects of WR (surface runoff, water erosion, preferential flow) have been relatively well investigated in the last decades. However, its effect on the energy balance between soil and atmosphere has not been studied yet. We postulate that global warming does not only lead to an increase in WR of soils, but WR has an impact on the energy balance and thus, will lead to a feedback on global warming. In order to test our hypothesis, we want to determine all components of the energy- and water balance between soil and atmosphere for a strongly water repellent soil. As a reference we want to repeat the same measurements for the same soil, at which the WR has been suspended by application of a surfactants. While the laboratory studies aim to give insight into more principle processes, the lysimeter (bare and with plants) and field scale studies shall give information about integrated complex natural processes. The gained knowledge shall be implemented into a numerical simulation tool for modeling water and energy balances in order to predict the effects of WR under different atmospheric conditions and physical soil properties.

FP7-TRANSPORT, Transport Innovation Deployment for Europe (TIDE)

The mission of the TIDE project will be to enhance the broad transfer and take-up of 15 innovative urban transport and mobility concepts throughout Europe and to make a visible contribution to establish them as mainstream measures. The TIDE partners will make a range of new and feasible solutions easily accessible to address key challenges of urban transport such as energy efficiency, decarbonisation, demographic change, safety, access for all and new economic and financial conditions. TIDE will focus on 15 innovative concepts in five thematic clusters: financing models and pricing measures (1), non-motorised transport (2), network and traffic management to support traveller information (3), electric vehicles (4) and public transport organisation (5). Sustainable Urban Mobility Plans will be a horizontal topic to integrate the cluster activities. The project will provide a strong approach in methodology, content and outreach. The needs of practitioners in European cities and regions will be a guiding principle. A particular focus will also be on providing guidance for finding cost-efficient solutions (cost-benefit analysis). The project will refine existing and well proven transferability methodologies and integrate them into an easy to apply handbook. Face-to-Face training and exchange events as well as guidelines and e-learning on how to successfully implement innovative solutions will be the key tools to effectively support a wide range of take-up candidates in overcoming real or perceived barriers to implementation. A broad portfolio of dissemination activities will ensure a high visibility of the project. TIDE will actively support 15 committed cities in developing implementation scenarios. They will demonstrate how to successfully prepare implementation of innovative solutions and provide examples to a wider group of cities. An experienced and committed consortium will ensure that the advanced project approach will achieve a well visible impact.

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