Self-consistent field theory morphologies, theories

All the above theories are based on geometric considerations. By applying self-consistent field theory, Miiller and Schick [74] have predicted that the only thermodynamically stable morphologies for rod-coil systems are those with the coils on the convex side of the interface. Very recently Gurovich [75] developed a statistical theory which treats the microphase separation in LC block copolymer melts near the spino-dal and predicts orientational and reorienta-tional phase transitions driven by the configurational separation and four different phases. 

The dynamic self-consistent field theory has been widely used in the form of MESODYN [97]. This scheme has been extended to study the effect of shear on phase separation or microstructure formation, and to investigate the morphologies of block copolymers in thin films. In many practical applications, however, rather severe numerical approximations (e.g., very large discretization in space or contour length) have been invoked, that make a quantitative comparison to the the original model of the SCF theory difficult, and only the qualitative behavior could be captured. 

Theoretical approaches to predict the microdomain morphologies of linear ABC have been reported using density-functional theory (DFT) (Nakazawa and Ohta, 1993 Zheng and Wang, 1995), strong-segregation theory (SST) (Phan and Fredrickson, 1998), Monte Carlo (MC) (Dotera and Hatano, 1996 Ko et al, 2001), and self-consistent field theory (SCFT)... 

Sun, M., Wang, P., Qiu, E et al. (2008) Morphology and phase diagram of ABC linear triblock copolymers Parallel real-space self-consistent-field-theory simulation. Physical Review E, 77,016701. 

Abstract We present an overview of statistical thermodynamic theories that describe the self-assembly of amphiphilic ionic/hydrophobic diblock copolymers in dilute solution. Block copolymers with both strongly and weakly dissociating (pH-sensitive) ionic blocks are considered. We focus mostly on structural and morphological transitions that occur in self-assembled aggregates as a response to varied environmental conditions (ionic strength and pH in the solution). Analytical theory is complemented by a numerical self-consistent field approach. Theoretical predictions are compared to selected experimental data on micellization of ionic/hydrophobic diblock copolymers in aqueous solutions. 

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