Density functional theory of homopolymer mixtures confined in a slit.
A density functional theory (DFT) is developed for polymer mixtures with shorted-ranged attractive interparticle interactions confined in a slit. Different weighting functions are used separately for the repulsive part and the attractive part of the excess free energy functional by applying the weighted density approximation. The predicted results by DFT are in good agreement with the corresponding simulation data indicating the reliability of the theory. Furthermore, the center-of-mass profiles and the end-to-end distance distributions are obtained by the single chain simulation; the predictions also agree well with simulation data. The results reveal that both the attraction of the slit wall and the temperature has stronger effect on longer chains than on shorter ones because the intrasegment correlation of chains increases with increasing chain length.
Ye
Zhencheng
Z
State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.
Chen
Houyang
H
Cai
Jun
J
Liu
Honglai
H
Hu
Ying
Y