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Updated: May 16, 2025

Confocal Imaging of Confined Quiescent and Flowing Colloid-polymer Mixtures
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用修改的OPLS-AA模型对聚胺-异烯胺的缩和稀释水溶液进行分子动力学模拟

Takuma Yagasaki1, Nobuyuki Matubayasi1

  • 1Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531, Japan.

The journal of physical chemistry. B
|May 15, 2025
PubMed
概括

一个经过修改的OPLS-AA模型准确地模拟了聚烯酸 (N-异烯酸胺) 溶液,捕捉了线圈-球体过渡. 这种改进的模型显示过渡是连续的,而不是不连续的,增强了分子动力学模拟.

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