Computer aided polymer design using multi-scale modelling

Brazilian Journal of Chemical Engineering

Volumn 27, Issue 3, 2010, Pages 369-380

  Satyanarayana, K C ^a   Abildskov, J ^a   Gani, R ^a   Tsolou, G ^b   Mavrantzas, V G ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSITY OF PATRAS   (Greece)

Author keywords

CAMD; Diffusivity; Group contribution methods; Molecular dynamics; Multi scale modelling; Polyisobutylene; Polymer design; Property prediction

Indexed keywords

DESIGN; DIFFUSION; FORECASTING; MOLECULAR DYNAMICS; POLYMERS; PRODUCT DESIGN;

CAMD; GROUP CONTRIBUTION METHOD; MULTI-SCALE MODELLING; POLYISOBUTYLENES; POLYMER DESIGNS; PROPERTY PREDICTIONS;

STRUCTURAL DESIGN;

EID: 78650117169     PISSN: 01046632     EISSN: None     Source Type: Journal    
DOI: 10.1590/S0104-66322010000300002     Document Type: Article

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