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Multiscale Modelling of Polymers: Oxford Series on Materials Modelling, cartea 9

Autor Doros N. Theodorou, Vlasis G. Mavrantzas
en Limba Engleză Hardback – 24 dec 2025
The last twenty years have seen an extraordinary development and application of new modelling concepts and powerful simulation tools in the field of polymers, which have dramatically extended our understanding of structure-property relationships and impacted the design of these materials. This book provides a comprehensive overview of the theory and practice of polymer multiscale modelling methods with a balanced combination of breadth and depth. After introducing the key methods for modelling polymeric materials computationally at the atomistic and mesoscopic levels, the text discusses how bridges between different levels of modelling can be built with minimal loss of predictive ability. It presents the statistical mechanical foundations of these methods and explains how they should be implemented in order to understand and reliably predict structure and dynamics in systems of chain molecules. The book also covers the multitude of real world applications of these methods in polymer science ranging from chain conformation and packing, equilibrium volumetric behaviour, segmental dynamics and terminal relaxation in polymer melts to elastic constants, plasticity, and structural relaxation in polymer glasses, phase equilibria of polymer-solvent systems and miscibility of blends, microphase separation and morphology development in block copolymers and viscoelasticity of unentangled and entangled melts.
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Specificații

ISBN-13: 9780199226191
ISBN-10: 0199226199
Pagini: 528
Ilustrații: 117 b/w and colour illustrations
Dimensiuni: 196 x 253 x 31 mm
Greutate: 1.26 kg
Ediția:1
Editura: OUP OXFORD
Colecția OUP Oxford
Seria Oxford Series on Materials Modelling

Locul publicării:Oxford, United Kingdom

Recenzii

A remarkable book which encapsulates the accumulated work of several generations of physicists, chemical engineers, and physical chemists. This is not merely a reference work but a lasting intellectual companion-one that both educates and inspires, and that will remain relevant for many years to come.
This book is poised to become the new standard for implementing and practicing modern multiscale simulation. It is destined to be widely cited for years to come.
In Multiscale Modelling of Polymers, Doros Theodorou and Vlasis Mavrantzas have produced a work that has the potential to become the definitive reference for computational polymer scientists and engineers seeking to bridge the gap between microscopic polymer physics and macroscopic behavior. ..This monograph stands as a significant and lasting contribution to the field, offering both a synthesis of established methods and a framework for future developments. It is more than a collection of literature; it is a pedagogical guide that organizes decades of scattered knowledge into a single, cohesive narrative.
A significant and lasting contribution to the field, offering both a synthesis of established methods and a framework for future developments.
This book is not merely a reference work but a lasting intellectual companion - one that both educates and inspires, and that will remain relevant for many years to come.

Notă biografică

Doros Theodorou received his Diploma in Chemical Engineering from the National Technical University of Athens in 1982, and his M.S. (1983) and Ph.D. (1985) degrees from the Department of Chemical Engineering at the Massachusetts Institute of Technology. He is currently Professor of Chemical Engineering at the National Technical University of Athens. He has previously been Professor of Chemical Engineering at the University of California, Berkeley (1986-1995), and at the University of Patras (1995-2002). From 1986 to 1995 he also held an appointment at the Centre for Advanced Materials in the Division of Materials Sciences at Lawrence Berkeley Laboratory.Vlasis Mavrantzas received his Diploma in Chemical Engineering from the National Technical University of Athens in 1988 and his Ph.D. from the University of Delaware, Department of Chemical Engineering, in 1994. Currently he is Professor of Chemical Engineering at the University of Patras. Since 2016, he is also employed as Dozent-Lecturer in the Department of Mechanical and Process Engineering at ETH Zürich. From 1997 to 2003 he worked at FORTH-ICE/HT in Patras. He has previously been visiting researcher of the Dow Chemical Company and of the University of Tokyo.