title: Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer.
abstract: Self-assembly of AB diblock copolymer confined in concentric-cylindrical nanopores was studied using MesoDyn simulation. Our calculation shows that in this confined geometry a zoo of exotic structures can be formed. These structures include bicontinuous phases like carbon nanotube, imperfect single helixes and double helixes. Moreover, the dependence of the chain conformation on the volume fraction, concentration, the interactions between blocks and the diameter of the cylindrical pore are investigated. The results of these simulations can be used to predict the diblock copolymer morphologies confined in concentric-cylindrical nanopores and should be helpful in designing polymeric nanomaterials in the future.
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China.
authors.forename: Shou-Hong
authors.initials: SH
authors.lastname: Yang
authors.forename: Yuen-Kit
authors.initials: YK
authors.lastname: Cheng
authors.forename: Shi-Ling
authors.initials: SL
authors.lastname: Yuan
mesh_terms: D003198:Computer Simulation; D008958:Models, Molecular; D008968:Molecular Conformation; D053761:Nanocomposites / Q000737:chemistry; D053758:Nanoparticles / Q000737:chemistry; D058608:Nanopores; D049329:Nanostructures; D043942:Nanotubes; D020442:Poloxamer / Q000737:chemistry; D058105:Polymerization; D011108:Polymers / Q000737:chemistry*; D013499:Surface Properties; D013501:Surface-Active Agents; D013816:Thermodynamics
chemical_list: D011108:Polymers; D013501:Surface-Active Agents; D020442:Poloxamer