聚天冬氨酸酯聚脲胺基组分分子结构对涂层微观结构及腐蚀介质扩散行为影响的分子动力学模拟研究

夏渊, 廉兵杰, 程佳, 李文

Influence of Molecular Structure of Polyaspartic Ester Polyurea Amino Component on Microstructure of its Coating and Diffusion Behavior of Corrosive Media Within Coating: A Molecular Dynamics Simulation Study

XIA Yuan, LIAN Bingjie, CHENG Jia, LI Wen

图7 A4聚脲分子结构中双键氧原子与水分子中氢原子间的径向分布函数，以及水分子分布及其与聚脲分子之间的氢键结构

Fig.7 Radial distribution function between the double bond oxygen atom in A4 polyurea molecular structure and the hydrogen atom in water molecule (a), and distribution of water molecules and their hydrogen bonding structures with polyurea molecules (b)