Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer.
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.
Yang
Shou-Hong
SH
Key Lab of Colloid and Interface Chemistry, Shandong University, Jinan 250100, China.
Cheng
Yuen-Kit
YK
Yuan
Shi-Ling
SL
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
D011108:Polymers; D013501:Surface-Active Agents; D020442:Poloxamer