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Under proper conditions block copolymers or the analogous molecular complexes formed by non-covalent bonding are known to self-assemble spontaneously in the melt to form spatially ordered microscopic structures. In this kind of systems, the phase structures depend on the molecular structures and the thermodynamic conditions which are of great importance for the material properties. Monte Carlo simulation is a very useful method to investigate this phase behavior and the related conformational behavior of individual polymer chains. In this thesis, some model systems containing block copolymers or associating polymers were simulated in the weak segregation regime by using Monte Carlo methods and theoretically analyzed by the Random Phase Approximation.

Under proper conditions block copolymers or the analogous molecular complexes formed by non-covalent bonding are known to self-assemble spontaneously in the melt to form spatially ordered microscopic structures. In this kind of systems, the phase structures depend on the molecular structures and the thermodynamic conditions which are of great importance for the material properties. Monte Carlo simulation is a very useful method to investigate this phase behavior and the related conformational behavior of individual polymer chains. In this thesis, some model systems containing block copolymers or associating polymers were simulated in the weak segregation regime by using Monte Carlo methods and theoretically analyzed by the Random Phase Approximation.