A crosslinkable graphene oxide (GO) was synthesized and employed as reinforcement in waterborne polyurethane (WPU) composite coatings for improving corrosion protection properties. Polycarbodiimide (PCD), a crosslinking agent of WPU, was chosen to modify GO. Three different conformations of functionalized graphene will be generated: grape cluster conformation, network conformation and tail conformation, varying mainly with the PCD/GO ratio. Experiments and molecular dynamics simulation were carried out to study the correlations between the PCD/GO ratio, the conformations of functionalized graphene, as well as the dispersion state of graphene layers. The functionalized graphene with tail conformation was crosslinkable with WPU molecules along the interfaces. Electrochemical impedance spectroscopy showed that the WPU coatings with 0.2 wt% crosslinkable graphene remained at a maximum impedance modulus of 10⁹ Ω cm² after 120 days immersion without any decrease. The superior anticorrosive properties benefited from the barrier properties of well-dispersed graphene layers, the crosslinking structure along the functionalized graphene/WPU interfaces, as well as the improved water resistance of the coatings.

合成了可交联的氧化石墨烯（GO），并用作水性聚氨酯（WPU）复合涂料的增强材料，以改善防腐性能。选择WPU的交联剂聚碳二亚胺（PCD）修饰GO。将生成三种不同的功能化石墨烯构象：葡萄簇构象，网络构象和尾部构象，主要随PCD / GO比变化。通过实验和分子动力学模拟研究了PCD / GO比，功能化石墨烯的构象以及石墨烯层的分散状态之间的相关性。具有尾部构象的官能化石墨烯可沿界面与WPU分子交联。电化学阻抗谱表明，该WPU涂层具有0。⁹  Ω厘米² 120天之后浸入无任何降低。优异的防腐性能得益于分散良好的石墨烯层的阻隔性能，沿功能化石墨烯/ WPU界面的交联结构以及涂层的改进的耐水性。