Computer aided polymer design using multi-scale modelling

The ability to predict the key physical and chemical properties of polymeric materials from their repeat-unit structure and chain-length architecture prior to synthesis is of great value for the design of polymer-based chemical products, with new functionalities and improved performance. Computer ai...

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Bibliographic Details
Main Authors: K. C. Satyanarayana, J. Abildskov, R. Gani, G. Tsolou, V. G. Mavrantzas
Format: Artigo
Language:Inglês
Published: Brazilian Society of Chemical Engineering 2010-09-01
Series:Brazilian Journal of Chemical Engineering
Subjects:
CAMD
Polymer Design
Molecular dynamics
Property prediction
Group contribution methods
Polyisobutylene
Diffusivity
Multi-Scale Modelling
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000300002
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