MONTE CARLO SIMULATION STUDY OF SURFACE INDUCED STRUCTURAL CHANGES IN CONFINED MODEL SINGLE STAR DIBLOCK COPOLYMER

YIMENU, YALEW

dc.contributor.author	YIMENU, YALEW
dc.date.accessioned	2021-03-04T12:07:08Z
dc.date.available	2021-03-04T12:07:08Z
dc.date.issued	2021-03-04
dc.identifier.uri	http://ir.bdu.edu.et/handle/123456789/12033
dc.description.abstract	The study of ordered stable structures for a system of particles interacting through a specific kind of interactions is an interesting problem both from the scientific and technological point of views. The modern technology of polymers as well as their applications requires the solution of basic theoretical problems connected with the specific geometrical confinement. Investigating the influence of confinement and substrate induced physical properties are particularly important for star shaped polymer systems since their weak translational order is considerably influenced by the presence of surface. It is needed to confine star shaped polymers to use in many technological utilities as in drug formation, tissue engineering, surface modification, cosmetics, biomedical coating, pharmaceutical molecule ultrathin coating and other applications. In this thesis Monte Carlo computer simulations have been performed to analyze the surface induced structure of star diblock copolymers adsorbed or anchored on a surface. Keeping the total arm length constant at a time for different functionalities, we observed significant changes in the resulting monomer distribution and structural changes in the size and shape on the surface adsorbed star diblock copolymer system. The same is done for constant functionalities and different arm length. Confinement of star diblock copolymers usually modifies their overall properties in terms of structure, distribution number or density, and extension of the arms/ gyration radius owing to delicate energetic balance made between the adhesive and cohesive forces besides the thermodynamic constraint imposed (temperature). In this thesis we observed the Monte Carlo simulation results of the effects of the change in number and/or length of arms of star diblock copolymers on the ordered stable equilibrium surface induced structure; say on the monomer distribution profile with respect to the surface in terms of density, size, shape and packing fraction as a function of temperature. The coarse-grained pair-wise interaction model is used to investigate the potential experienced between the molecules of a single star diblock copolymer adsorbed on a surface. We do mean by coarse-grained that it considers united atoms or molecules by breaking a complex system down into simpler sub-components. The paper gives fund of discussion concerning the Monte Carlo simulation method and the coarse-grained pairwise interaction model, too. KEY WORDS: star shaped polymers, star diblock copolymers, modeling of star diblock copolymers, coarse grained model, Monte Carlo simulation, surface confinement	en_US
dc.language.iso	en	en_US
dc.subject	MATERIALS SCIENCE	en_US
dc.title	MONTE CARLO SIMULATION STUDY OF SURFACE INDUCED STRUCTURAL CHANGES IN CONFINED MODEL SINGLE STAR DIBLOCK COPOLYMER	en_US
dc.type	Thesis	en_US