Effects of shear and charge on the microphase formation of P123 polymer in the SBA-15 synthesis investigated by mesoscale simulations.
作者： Shi-Ling Yuan , Xiu-Qing Zhang , Kwong-Yu Chan , None
DOI: 10.1021/LA8035133
关键词: Bound water 、 Micelle 、 Propylene oxide 、 Mesoporous material 、 Copolymer 、 Polymer 、 Ethylene oxide 、 Polymer chemistry 、 Chemical engineering 、 Molecule 、 Materials science
摘要: Mesoscale simulation was performed to investigate the dynamical structural behavior of pluronic P123 block copolymer in synthesis mesoporous SBA-15. Shear is introduced represent stirring actual experiment, and a weak charge included simulate acidic conditions synthesis. Under shear, with increase PEO [poly(ethylene oxide)] block, template forms more ordered hexagonal phases, pore sizes cylindrical hydrophobic PPO [poly(propylene blocks decrease. The factor shows three types water molecules mesoscale aggregates, including bulk solution, bound around hydrophilic corona, trapped core. When 1,3,5-trimethyl-benzene (TMB) added system as swelling agent, expanded phases are formed, density mapping TMB that mainly located cores. In configurations spherical micelles, although bimodally dispersed spheres observed, face-centered cubic (fcc) packing micelles hardly changes addition TMB. agreement experimental results, simulations show shear essential formation templates copolymer. Mesoscopic complement investigations on morphology amphiphilic polymer syntheses can provide important guidance for further experiments.
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