A MATLAB programme for quantitative simulation of self-assembly of polymer blend films with nanoscaled features. (1st January 2012)

• Record Type: Journal Article
• Authors: Shang, Yingrui; Kazmer, David
• Is Part Of: International journal of computer aided engineering and technology. Volume 4:Number 2(2012)
• Page Start: 181
• Page End: 192
• Publication Date: 2012-01-01
• Subjects: self-assembly -- simulation -- substrate functionalisation -- evaporation -- phase separation; Computer-aided engineering -- Periodicals; 620.00285
• Languages: English
• ISSNs: 1757-2657

Abstract

A MATLAB programme has been developed for simulation of polymer blend self-assembly with nanoscaled features. The Cahn-Hilliard equation is implemented to calculate the free energy profile of the polymer blends. The Flory-Huggins type of energy is used to estimate the local free energy. This programme is capable to quantitatively simulate the phase separation of polymer blends. The effects of the substrate functionalisation, solvent evaporation and polymer materials properties are considered in the programme. Researchers can use the programme to estimate the model parameters from the real experimental processing parameters and the material properties. The simulation results can be evaluated quantitatively and compared with the experimental results with analysis tools provided with the programme.