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Simulation Methods for Polymers - 9780824702472

Un libro in lingua di Kotelyanskii Michael (EDT) Theodorou Doros Nicolas (EDT) edito da Taylor & Francis, 2004

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Kotelyanskii (member, American Chemical Society) and Theodorou (chemical engineering, National Technical University, Greece) offer a sequence of polymer physics background, methods, calculations, and application guidelines in this text/reference for advanced students and research practitioners in academia and industry involved in the modeling and simulation of polymeric materials. After an introduction to basic elements of polymer physics, sections focus on the calculation of single-chain properties in various environments, lattice-based Monte Carlo simulations, molecular dynamics simulations, and the configuration bias method for off-lattice Monte Carlo simulation. Other sections cover simulations of charged polymer systems, methods for the calculation of free energy and chemical potential and for the simulation of phase equilibria, polymer crystals, bulk amorphous polymers, and multiscale modeling. Annotation ©2004 Book News, Inc., Portland, OR (booknews.com)

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