The Self-consistent Mean Field Simulation For The Self-assembly Of ABA Amphiphilic Triblock Copolymer In Dilute Solution

Comparing to the other mean field theory, fewer hypotheses have been used in self-consistent field theory (SCFT). Therefore, SCFT has become an effective method for the study of the self-assembly of polymers. We systemically intruded the derivation of SCFT equations in this thesis, and also introduced the numerical technique for solving these equations in the real space.In order to verify our simulation program, we simulated the phase morphology of AB amphiphilic block copolymer in dilute solution in two dimensions by real space SCFT, and obtained the following morphologies: rod-like micelles, spherical micelles, micelles with"Y"structure and vesicles with different radius. Some of them are corresponding to the simulation results in the references.The research in this thesis is focused on the phase behavior of ABA amphiphilic triblock copolymer in dilute solution by using SCFT, and obtained the following results:1. Using the indirect method to prepare sample, we obtained various aggregate morphologies by changing the property of the selective solvent. And aggregate morphologies changed from spherical micelles to rod-like micelles, and then to vesicles by increasing the interaction parameters between hydrophobic segments and solvent. It was seen that the simulation results correlate well with those of the experiment.2. Using the direct method to prepare sample, the morphologies obtained were different from those by indirect method. Keeping the other parameters unchanged, the simulation results revealed that the self-assembled morphology was determined by the initial density fluctuation. These results indicated that the self-assembled morphology depended on both the dynamic processes and the initial density fluctuation of the system.