998 resultados para Quantenchemie, Mukherjee Multireferenz-Coupled-Cluster, Analytische Gradienten, Parallelisierung, Biradikale
Resumo:
The Channel Catchments Cluster (3C) aims to capitalise on outputs from some of the recent projects funded through the INTERREG IVa France (Channel) England programme. The river catchment basins draining into the Channel region drain an area of 137,000km2 and support a human population of over 19M. Throughout history, these catchments, rivers and estuaries have been centres of habitation, developed through commerce and industry, providing transport links to hinterland areas. These catchments also provide drinking water and food through provision of agriculture, fisheries and aquaculture. In addition, many parts of the region are also economically important now for the tourism and leisure industries. Consequently, there is a need to manage the balance of these many and varied human activities within the catchments, rivers, estuaries and marine areas to ensure that they are maintained or restored to good environmental condition . This document highlights some of the recent work carried out by projects within the INTERREG IVa programme that provide tools and techniques to assist in the achievement of these goals.
Resumo:
Although the narrow stretch of water that separates England from France has seen both welcome (and occasionally less welcome) exchanges during the past thousand years, this physical challenge to the movement of people has certainly served to obstruct collaborative efforts that might establish a more sustainable economy in our part of Europe. Since 2009, the European Regional Development Fund (ERDF)-supported Interreg Programme France (Channel) England Region has actively supported efforts by organisations in France and England to work ever more closely together, to share good practice and to devise new ways to support sustainable development in the Region. The initiatives are certainly rooted in excellent research, but they have also been driven by the real needs of the Region and in all cases partners have worked to develop practical tools that can be readily applied in both France and England. The Channel Catchment Cluster (3C) builds on this growing tradition of cross-border cooperation to bring together the very best new knowledge from recent Anglo-French teamwork. The contents of this Compendium are the result of a wide variety of grass-roots initiatives that have benefitted enormously from a cross-border meeting of minds. The Cluster has brought together several of these cross-border teams to discuss their work and to share good practice in the dissemination and application of novel tools for environmental protection. This Compendium therefore not only presents a 'snapshot' of the wide variety of environmental protection and management tools that have emerged from the France (Channel) England Region, it also summarises where they stand on their 'pathway to impact'. There is clearly much more that can be achieved by future cross-border efforts in our Region, but I believe that this Compendium provides an excellent basis for future action. Professor Huw Taylor University of Brighton UK
Resumo:
It is estimated that approximately 1.1 billion people globally drink unsafe water. We previously reported both a novel copper-alginate bead, which quickly reduces pathogen loading in waste streams and the incorporation of these beads into a novel swirl flow bioreactor (SFB), of low capital and running costs and of simple construction from commercially available plumbing pipes and fittings. The purpose of the present study was to trial this system for pathogen reduction in waste streams from an operating Dewats system in Hinjewadi, Pune, India and in both simulated and real waste streams in Seattle, Washington, USA. The trials in India, showed a complete inactivation of coliforms in the discharged effluent (Mean Log removal Value (MLRV) = 3.51), accompanied by a total inactivation of E. coli with a MLRV of 1.95. The secondary clarifier effluent also showed a 4.38 MLRV in viable coliforms during treatment. However, the system was slightly less effective in reducing E. coli viability, with a MLRV of 1.80. The trials in Seattle also demonstrated the efficacy of the system in the reduction of viable bacteria, with a LRV of 5.67 observed of viable Raoultella terrigena cells (100%).
Resumo:
This study presents a fully coupled temperature–displacement finite element modelling of the injection stretch-blow moulding (ISBM) process of polyethylene terephthalate (PET) bottles using ABAQUS with a view to optimising the process conditions. A physically-based material model (Buckley model) was used to predict the mechanical behaviour of PET at temperatures slightly above its glass transition temperature. A model incorporating heat transfer between the stretch rod, the preform and the mould was built using axisymmetric solid elements. Extensive finite element analyses were carried out to predict the deformation, the distribution and history of strain and temperature during ISBM of a 20 g–330 ml bottle, which was made in an in situ test on a Sidel SB06 machine. Comparisons of numerical results with the measurements demonstrate that the model can satisfactorily model the sidewall thickness and material distributions. It is also shown that significant non-linear differentials exist in temperature and strain in both bottle thickness and length directions during the process. This justifies the employment of a volume approach to accurately predict the final mechanical properties of the bottles governed by the orientation and crystallinity which are highly temperature and strain dependent.