Effects of temperature and concentration on the structure of ethylene oxide–propylene oxide–ethylene oxide triblock copolymer (Pluronic P65) in aqueous solution: a molecular dynamics simulation study
作者： Shijin Dong , Xuejun Cui , Shuangling Zhong , Yan Gao , Hongyan Wang
DOI: 10.1080/08927022.2011.582107
关键词: Chemical engineering 、 Inorganic chemistry 、 Atmospheric temperature range 、 Copolymer 、 Flory–Huggins solution theory 、 Chemistry 、 Ethylene oxide 、 Propylene oxide 、 Aqueous solution 、 Hydrogen bond 、 Pulmonary surfactant
摘要: The effects of temperature and solution concentration on the structure triblock polymeric surfactant (ethylene oxide)19(propylene oxide)29(ethylene oxide)19 (Pluronic P65) have been investigated by fully atomistic molecular dynamics simulations. Flory–Huggins interaction parameter χ, hydrogen bonding mobility in aqueous P65 were covering a composition range 0.1–0.73 (water weight fraction) 273–373 K. parameters indicated that propylene oxide (PO) segments became hydrophobic with increase temperature, whereas ethylene (EO) remained hydrophilic, which caused repulsion between EO PO segments. intermolecular bonds including water–water water–P65 increased decreased temperature. critical micellar Pluronic predicted Fl...
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