Mesoscopic polymers copolymer systems

The proposed CG models can also be used for the study of systems more complicated than bulk polymer melts. Possible examples are the study of the diffusion of a penetrant in a polymer matrix, or of block copolymers, blends, etc. [121, 122]. In addition, the method can be directly incorporated into multiscale methodologies, which include multiple levels of simulation, and where both atomistic and mesoscopic descriptions are needed at the same time, but in different regions. An example is the study of the long time scale dynamics of polymers near solid attractive surfaces, where an atomistic description is needed very close to the surface but a mesoscopic description can be used for length scales far from the surface. 

Application DPD Simulation in Multiscale. DPD simulation method in multiscale i.e. parameter derived from atomistic simulations has been successfully implemented for different real polymeric systems. The mesoscopic morphology of linear and graft- fluorinated block copolymers has been investigated by Ozan et al. Polyethylene and poly (L-lactide) polymer blends and di-block copolymers have been investigated as a function of chain... 

The case of block copolymers is peculiar and deserves a specific development. In such a structure, the A and B blocks are connected to one another by a covalent bond, and their respective molar mass and composition can be varied independently. Being incompatible, A and B blocks tend to minimize their surface of contact but, contrary to the mere blends of two polymers they cannot phase separate to a macroscopic scale due to the bond which links them. Classical composition-temperature phase diagrams cannot be constructed for block copolymers as for the corresponding blends. Indeed the A and B blocks are forced to self-organize in domains of more reduced nano- or mesoscopic size. The transition from a homogeneous blend to a system composed of ordered phases as well as the size and the morphology of these ordered phases depend on two elements the product Xab " (X = total degree of polymerization) and the dissymmetry in size of the two blocks. 

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