Molecular Modeling And Simulation Of Hydrogen Bonding Pure Fluids And Mixtures
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Molecular Modeling And Simulation Of Hydrogen Bonding Pure Fluids And Mixtures
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Author : Thorsten Schnabel
language : en
Publisher: Logos Verlag Berlin GmbH
Release Date : 2008
Molecular Modeling And Simulation Of Hydrogen Bonding Pure Fluids And Mixtures written by Thorsten Schnabel and has been published by Logos Verlag Berlin GmbH this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with categories.
Hydrogen Bond Networks
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Author : M.C. Bellissent-Funel
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Hydrogen Bond Networks written by M.C. Bellissent-Funel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Applications Of Molecular Simulation In The Oil And Gas Industry
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Author : Philippe Ungerer
language : en
Publisher: Editions TECHNIP
Release Date : 2005
Applications Of Molecular Simulation In The Oil And Gas Industry written by Philippe Ungerer and has been published by Editions TECHNIP this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Business & Economics categories.
Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more generally to the chemical industry. Based on a universally accepted theoretical background, molecular simulation accounts for the precise structure of molecules in evaluating their interactions. Taking advantage of the availability of powerful computers at moderate cost, molecular simulation is now providing reliable predictions in many cases where classical methods (such as equations of state or group contribution methods) have limited prediction capabilities. This is particularly useful for designing processes involving toxic components, extreme pressure conditions, or adsorption selectivity in microporous adsorbents. Molecular simulation moreover provides a detailed understanding of system behaviour. As illustrated by their award from the American Institute of Chemical Engineers for the best overall performance at the Fluid Simulation Challenge 2004, the authors are recognized experts in Monte Carlo simulation techniques, which they use to address equilibrium properties. This book presents these techniques in sufficient detail for readers to understand how simulation works, and describes many applications for industrially relevant problems. The book is primarily dedicated to chemical engineers who are not yet conversant with molecular simulation techniques. In addition, specialists in molecular simulation will be interested in the large scope of applications presented (including fluid properties, fluid phase equilibria, adsorption in zeolites, etc.).
Water In Biological And Chemical Processes
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Author : Biman Bagchi
language : en
Publisher: Cambridge University Press
Release Date : 2013-11-14
Water In Biological And Chemical Processes written by Biman Bagchi and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-14 with Medical categories.
A unified overview of the dynamical properties of water and its unique and diverse role in biological and chemical processes.
High Performance Computing In Science And Engineering 06
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Author : Wolfgang E. Nagel
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-07-26
High Performance Computing In Science And Engineering 06 written by Wolfgang E. Nagel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-07-26 with Mathematics categories.
The last two years have been great for high performance computing in Baden- W ̈ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months,therearelotsofactivitiesonallscienti?c,advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.
High Performance Computing In Science And Engineering 07
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Author : Wolfgang E. Nagel
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-12-18
High Performance Computing In Science And Engineering 07 written by Wolfgang E. Nagel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-18 with Mathematics categories.
This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved on systems of the Stuttgart High Performance Computing Center in 2007. The reports cover all fields of computational science and engineering, with emphasis on industrially relevant applications. Presenting results for both vector-based and microprocessor-based systems, the book allows comparison between performance levels and usability of various architectures.
High Performance Computing In Science And Engineering 08
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Author : Wolfgang E. Nagel
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-01-10
High Performance Computing In Science And Engineering 08 written by Wolfgang E. Nagel and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-01-10 with Mathematics categories.
The discussions and plans on all scienti?c, advisory, and political levels to realize an even larger “European Supercomputer” in Germany, where the hardware costs alone will be hundreds of millions Euro – much more than in the past – are getting closer to realization. As part of the strategy, the three national supercomputing centres HLRS (Stuttgart), NIC/JSC (Julic ̈ h) and LRZ (Munich) have formed the Gauss Centre for Supercomputing (GCS) as a new virtual organization enabled by an agreement between the Federal Ministry of Education and Research (BMBF) and the state ministries for research of Baden-Wurttem ̈ berg, Bayern, and Nordrhein-Westfalen. Already today, the GCS provides the most powerful high-performance computing - frastructure in Europe. Through GCS, HLRS participates in the European project PRACE (Partnership for Advances Computing in Europe) and - tends its reach to all European member countries. These activities aligns well with the activities of HLRS in the European HPC infrastructure project DEISA (Distributed European Infrastructure for Supercomputing Appli- tions) and in the European HPC support project HPC-Europa. Beyond that, HLRS and its partners in the GCS have agreed on a common strategy for the installation of the next generation of leading edge HPC hardware over the next ?ve years. The University of Stuttgart and the University of Karlsruhe have furth- more agreed to bundle their competences and resources.
50 Years Of Statistical Physics In Mexico Development State Of The Art And Perspectives
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Author : Ramon Castañeda-Priego
language : en
Publisher: Frontiers Media SA
Release Date : 2021-09-13
50 Years Of Statistical Physics In Mexico Development State Of The Art And Perspectives written by Ramon Castañeda-Priego and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-13 with Science categories.
Geochemistry Of Geologic Co2 Sequestration
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Author : Donald J. DePaolo
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2018-12-17
Geochemistry Of Geologic Co2 Sequestration written by Donald J. DePaolo and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-17 with Science categories.
Volume 77 of Reviews in Mineralogy and Geochemistry focuses on important aspects of the geochemistry of geological CO2 sequestration. It is in large part an outgrowth of research conducted by members of the U.S. Department of Energy funded Energy Frontier Research Center (EFRC) known as the Center for Nanoscale Control of Geologic CO2 (NCGC). Eight out of the 15 chapters have been led by team members from the NCGC representing six of the eight partner institutions making up this center - Lawrence Berkeley National Laboratory (lead institution, D. DePaolo - PI), Oak Ridge National Laboratory, The Ohio State University, the University of California Davis, Pacific Northwest National Laboratory, and Washington University, St. Louis.
Reservoir Formation Conditions And Enrichment Mechanisms Of Shale Oil And Gas
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Author : Kun Zhang
language : en
Publisher: Frontiers Media SA
Release Date : 2023-05-15
Reservoir Formation Conditions And Enrichment Mechanisms Of Shale Oil And Gas written by Kun Zhang and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-15 with Science categories.