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Citation: JIA Haitao, HUANG Haiying, HE Tianbai. Self-Consistent Field Theory Simulation of the Diblock Copolymer/Homopolymer Blends in Canonical Ensemble[J]. Chinese Journal of Applied Chemistry, ;2014, 31(4): 389-393. doi: 10.3724/SP.J.1095.2014.30226 shu

Self-Consistent Field Theory Simulation of the Diblock Copolymer/Homopolymer Blends in Canonical Ensemble

1.
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China

Corresponding author: HE Tianbai,
Received Date: 9 May 2013
Available Online: 27 June 2013
Fund Project: 国家自然科学基金资助项目(21074135) (21074135)

For the self-consistent field theory(SCFT) simulation of the phase diagrams of copolymer blends,the grand canonical ensemble and canonical ensemble need to be combined in the simulation.Through converting the variables between grand canonical ensemble and canonical ensemble,we can calculate the variables of grand canonical ensemble directly from canonical ensemble,which simplify the calculation.Here the method was applied to calculate the phase diagram of diblock copolymer(A-b-B)/homopolymer(A) blends with different molecular masses.It was found that the macrophase separation is prevented in the blends by increasing the volume fraction,f_A of the block copolymer or decreasing the molecular mass of the homopolymer.
- self-consistent field theory,
- canonical ensemble,
- blend,
- macrophase separation,
- phase diagram
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