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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Hlavní autoři: K. C. Satyanarayana, J. Abildskov, R. Gani, G. Tsolou, V. G. Mavrantzas
Médium: Artigo
Jazyk:Inglês
Vydáno: Brazilian Society of Chemical Engineering 2010-09-01
Edice:Brazilian Journal of Chemical Engineering
Témata:
CAMD
Polymer Design
Molecular dynamics
Property prediction
Group contribution methods
Polyisobutylene
Diffusivity
Multi-Scale Modelling
On-line přístup:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000300002
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