DEPARTMENT OF MATERIAL SCIENCE AND ENGINEERING  MONTE CARLO SIMULATION STUDY OF DIBLOCK STAR  COPOLYMER ADSORBED ON IMPENETRABLE FLAT SURFACE

Assresaw, Workineh

dc.contributor.author	Assresaw, Workineh
dc.date.accessioned	2019-11-13T04:15:31Z
dc.date.available	2019-11-13T04:15:31Z
dc.date.issued	2019-11-13
dc.identifier.uri	http://hdl.handle.net/123456789/10005
dc.description.abstract	Diblock star copolymers (DBSCP) are polymers of the two chemically distinct monomer units covalently bonded to form macromolecule of Diblock star copolymer unit. These types of polymer can be synthesized in three mechanisms core first approach, arm first approach, grafting on to approaches. Most of the time they are applicable for material delivery as host shield coatings due their molecular difference or constitute difference. Some of the applications are for drug delivery, nano-wires, photonic crystals, quantum dots, magnetic storage, thermoplastic elastomers, adhesives, cosmetics and etc. In this thesis, the structural and conformational alignment of DBSCP adsorbed on flat impenetrable surface using Monte Carlo simulation method of coarse grained DBSCP molecule modelling is studied. The effect of arm length, thermodynamic property (pressure) and surface-bead interaction effect on the Density, beads (inner and outer) distribution on the surface is investigated at isobaricisothermal ensemble (NPT). The statistical mechanics methods used for this work is isobaric-isothermal ensemble with NPT acceptance criteria to investigate the thermodynamic and structural properties for single slit por confinement. For increasing pressure from 0.01 to 0.8 with in an increment of 0.01, the type two surface loving (TTSL) and type one surface loving (TOSL) beads distributed through the surface according to their surface loving selection. We investigate the values graphically and with snapshots. as the pressure increases the adsorbed bead types are going to distribute faster and search for unoccupied place to have free energy place for settlement because of surface attraction selectively and the alignment is long ranged in flat surface adsorbing than that of other geometries. Key words: - Star Diblock Copolymer, Monte Carlo, Adsorbed, surface loving, surface hating, inner beads, outer beads, NPT, Metropolis	en_US
dc.language.iso	en	en_US
dc.subject	Material Science	en_US
dc.title	DEPARTMENT OF MATERIAL SCIENCE AND ENGINEERING MONTE CARLO SIMULATION STUDY OF DIBLOCK STAR COPOLYMER ADSORBED ON IMPENETRABLE FLAT SURFACE	en_US
dc.type	Thesis	en_US