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Molecular Simulation Of Equilibrium And Dynamic Properties At The Liquid Liquid Interface
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Book Synopsis Nonequilibrium Molecular Dynamics by : Billy D. Todd
Download or read book Nonequilibrium Molecular Dynamics written by Billy D. Todd and published by Cambridge University Press. This book was released on 2017-03-10 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Book Synopsis Molecular Dynamics by : Perla Balbuena
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Book Synopsis Monte Carlo and Molecular Dynamics Simulations in Polymer Science by : Kurt Binder
Download or read book Monte Carlo and Molecular Dynamics Simulations in Polymer Science written by Kurt Binder and published by Oxford University Press, USA. This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Talks about various computer simulation techniques used for macromolecular materials. This book describes how to use simulation to explain experimental data and gain insight into structure and dynamic properties of polymeric structures. Explanations are given on how to overcome challenges posed by large size and slow relaxation polymer coils.
Book Synopsis Physical Chemistry of Gas-Liquid Interfaces by : Jennifer A. Faust
Download or read book Physical Chemistry of Gas-Liquid Interfaces written by Jennifer A. Faust and published by Elsevier. This book was released on 2018-05-31 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. - 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers - Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists - Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom - Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research
Book Synopsis Understanding Molecular Simulation by : Daan Frenkel
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Book Synopsis Molecular Simulation and Industrial Applications by : Keith E. Gubbins
Download or read book Molecular Simulation and Industrial Applications written by Keith E. Gubbins and published by Taylor & Francis. This book was released on 1996 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Book Synopsis Reviews in Computational Chemistry, Volume 28 by : Abby L. Parrill
Download or read book Reviews in Computational Chemistry, Volume 28 written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2015-04-29 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Book Synopsis Computational Methods for Complex Liquid-Fluid Interfaces by : Mohammad Taeibi Rahni
Download or read book Computational Methods for Complex Liquid-Fluid Interfaces written by Mohammad Taeibi Rahni and published by CRC Press. This book was released on 2015-11-11 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Methods for Complex Liquid-Fluid Interfaces highlights key computational challenges involved in the two-way coupling of complex liquid-fluid interfaces. The book covers a variety of cutting-edge experimental and computational techniques ranging from macro- to meso- and microscale approaches (including pivotal applications). As example
Book Synopsis High-pressure Flows for Propulsion Applications by : Josette Bellan
Download or read book High-pressure Flows for Propulsion Applications written by Josette Bellan and published by . This book was released on 2020 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describes observations and modelling of high-pressure flows encountered in aeronautics and astronautics. They have been selected to present the current understanding of high-pressure flows. Experimental, theoretical and numerical studies are all represented. Fundamental investigations are presented first, followed by practical studies.
Book Synopsis IUTAM Symposium on Computational Approaches to Multiphase Flow by : S. Balachandar
Download or read book IUTAM Symposium on Computational Approaches to Multiphase Flow written by S. Balachandar and published by Springer Science & Business Media. This book was released on 2007-01-28 with total page 443 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book provides a broad overview of the full spectrum of state-of-the-art computational activities in multiphase flow as presented by top practitioners in the field. It starts with well-established approaches and builds up to newer methods. These methods are illustrated with applications to a broad spectrum of problems involving particle dispersion and deposition, turbulence modulation, environmental flows, fluidized beds, bubbly flows, and many others.
Download or read book Master's Theses Directories written by and published by . This book was released on 2004 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Education, arts and social sciences, natural and technical sciences in the United States and Canada".
Download or read book Nanopackaging written by James E. Morris and published by Springer Science & Business Media. This book was released on 2008-12-30 with total page 553 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a comprehensive overview of nanoscale electronics and systems packaging, and covers nanoscale structures, nanoelectronics packaging, nanowire applications in packaging, and offers a roadmap for future trends. Composite materials are studied for high-k dielectrics, resistors and inductors, electrically conductive adhesives, conductive "inks," underfill fillers, and solder enhancement. The book is intended for industrial and academic researchers, industrial electronics packaging engineers who need to keep abreast of progress in their field, and others with interests in nanotechnology. It surveys the application of nanotechnologies to electronics packaging, as represented by current research across the field.
Book Synopsis Mesoscale Modeling in Chemical Engineering Part II by :
Download or read book Mesoscale Modeling in Chemical Engineering Part II written by and published by Academic Press. This book was released on 2016-02-16 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or emerging. - Contains reviews by leading authorities in the respective areas - Presents Up-to-date reviews of latest techniques in modeling of catalytic processes - Includes a mix of US and European authors, as well as academic/industrial/research institute perspectives - Contains the critical connections between computation and experimental methods
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Book Synopsis Polymer Science: A Comprehensive Reference by :
Download or read book Polymer Science: A Comprehensive Reference written by and published by Newnes. This book was released on 2012-12-05 with total page 7752 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in polymer science is revealed in the chapters of Polymer Science: A Comprehensive Reference, Ten Volume Set. In Volume 1, this is reflected in the improved understanding of the properties of polymers in solution, in bulk and in confined situations such as in thin films. Volume 2 addresses new characterization techniques, such as high resolution optical microscopy, scanning probe microscopy and other procedures for surface and interface characterization. Volume 3 presents the great progress achieved in precise synthetic polymerization techniques for vinyl monomers to control macromolecular architecture: the development of metallocene and post-metallocene catalysis for olefin polymerization, new ionic polymerization procedures, and atom transfer radical polymerization, nitroxide mediated polymerization, and reversible addition-fragmentation chain transfer systems as the most often used controlled/living radical polymerization methods. Volume 4 is devoted to kinetics, mechanisms and applications of ring opening polymerization of heterocyclic monomers and cycloolefins (ROMP), as well as to various less common polymerization techniques. Polycondensation and non-chain polymerizations, including dendrimer synthesis and various "click" procedures, are covered in Volume 5. Volume 6 focuses on several aspects of controlled macromolecular architectures and soft nano-objects including hybrids and bioconjugates. Many of the achievements would have not been possible without new characterization techniques like AFM that allowed direct imaging of single molecules and nano-objects with a precision available only recently. An entirely new aspect in polymer science is based on the combination of bottom-up methods such as polymer synthesis and molecularly programmed self-assembly with top-down structuring such as lithography and surface templating, as presented in Volume 7. It encompasses polymer and nanoparticle assembly in bulk and under confined conditions or influenced by an external field, including thin films, inorganic-organic hybrids, or nanofibers. Volume 8 expands these concepts focusing on applications in advanced technologies, e.g. in electronic industry and centers on combination with top down approach and functional properties like conductivity. Another type of functionality that is of rapidly increasing importance in polymer science is introduced in volume 9. It deals with various aspects of polymers in biology and medicine, including the response of living cells and tissue to the contact with biofunctional particles and surfaces. The last volume is devoted to the scope and potential provided by environmentally benign and green polymers, as well as energy-related polymers. They discuss new technologies needed for a sustainable economy in our world of limited resources. Provides broad and in-depth coverage of all aspects of polymer science from synthesis/polymerization, properties, and characterization methods and techniques to nanostructures, sustainability and energy, and biomedical uses of polymers Provides a definitive source for those entering or researching in this area by integrating the multidisciplinary aspects of the science into one unique, up-to-date reference work Electronic version has complete cross-referencing and multi-media components Volume editors are world experts in their field (including a Nobel Prize winner)
Book Synopsis Proceedings of the 17th Annual International Symposium on High Performance Computing Systems and Applications and the OSCAR Symposium by : National Research Council Canada
Download or read book Proceedings of the 17th Annual International Symposium on High Performance Computing Systems and Applications and the OSCAR Symposium written by National Research Council Canada and published by NRC Research Press. This book was released on 2003 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: The 17th annual International Symposium on High Performance Systems and Applications (HPCS 2003) and the first OSCAR Symposium were held in Sherbrooke, Quebec Canada, May 11-14, 2003. The proceedings cover various areas of High Performance Computing, from specific scientific applications to computer architecture. OSCAR is an Open Source clustering software suite for building, maintaining, and using high performance clusters.
Book Synopsis Liquid-Vapor Phase-Change Phenomena by : Van P. Carey
Download or read book Liquid-Vapor Phase-Change Phenomena written by Van P. Carey and published by CRC Press. This book was released on 2020-02-28 with total page 731 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the second edition of Liquid-Vapor Phase-Change Phenomena was written, research has substantially enhanced the understanding of the effects of nanostructured surfaces, effects of microchannel and nanochannel geometries, and effects of extreme wetting on liquid-vapor phase-change processes. To cover advances in these areas, the new third edition includes significant new coverage of microchannels and nanostructures, and numerous other updates. More worked examples and numerous new problems have been added, and a complete solution manual and electronic figures for classroom projection will be available for qualified adopting professors.
