Abstract
Dissipative particle dynamics (DPD) was used to simulate the formation and stabilization of gold nanoparticles in poly(ethylene oxide)–poly(propylene oxide)–poly(ethylene oxide) (PEO–PPO–PEO) block copolymer micelles. Primary gold clusters that were experimentally observed in the early stage of gold nanoparticle formation were modeled as gold bead in DPD simulation. It showed that gold beads were wrapped by the block copolymer and aggregated into spherical particles inside the micelles and forming stable Pluronic–gold colloids with two-layer structures. Increasing Pluronic concentration, molecular weight, and PPO block length led to the formation of more uniform and more stable gold nanoparticles. Density profiles of water beads suggested that the micelles, especially the hydrophobicity of the micellar cores, played an important role in stabilizing gold nanoparticles. Dynamic process indicated that the formation of gold nanoparticles was controlled by the competition between aggregation of primary gold clusters and the stabilization by micelles of block copolymers.. The DPD simulation results of gold–copolymer–water system agree well with previous experiments, while more structure information on microscopic level could be provided.
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Acknowledgments
This work was financially supported by the National Natural Science Foundation of China (No.20221603, No.20490200, and No. 20676137), the Scientific Research Foundation for the Returned Overseas Chinese Scholars, the Ministry of Education, and the Chinese Academy of Sciences for international cooperation.
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Chen, S., Guo, C., Hu, GH. et al. Dissipative particle dynamics simulation of gold nanoparticles stabilization by PEO–PPO–PEO block copolymer micelles. Colloid Polym Sci 285, 1543–1552 (2007). https://doi.org/10.1007/s00396-007-1721-x
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DOI: https://doi.org/10.1007/s00396-007-1721-x