Polymers with carbonyl groups are widely used in metal binding. It is believed that oxygen-containing functional groups have an essential role in the adhesion of polymers to metal surfaces. Here, molecular dynamics simulation has been employed to study oxygen atoms in the vinyl acetate and maleic acid functional groups that have a main role in the adhesion of poly (vinyl chloride-co-vinyl acetate-co-maleic acid) lacquer to aluminum. Based on the results, carbonyl groups had various neighboring bonds that resulted in different positioning and performances of oxygen atoms in the bonding strength. While oxygen atoms of carbonyl bonds in vinyl acetate had a higher tendency for the aluminum surface, oxygen atoms of maleic acid were closer to the aluminum surface, due to the smaller special hindrance of neighboring hydrogen atoms. It led to a difference in the surface concentrations of oxygen among different comonomers. Analyzing the orientation function revealed that the carbonyl bonds of vinyl acetate and maleic acid were oriented near the aluminum surface, as had been previously observed by Kim et al. [1]. The bond orientation and distance from the aluminum surface were found to be the main reasons behind the more effective role of maleic acid in the adhesion to aluminum, compared to vinyl acetate.

具有羰基的聚合物广泛用于金属结合。据信含氧官能团在聚合物对金属表面的粘附中具有重要作用。在这里，分子动力学模拟已被用来研究乙酸乙烯酯和马来酸官能团中的氧原子，这些氧原子在聚氯乙烯-乙酸乙烯酯-马来酸共聚物与铝的粘合中起主要作用。根据结果​​，羰基具有各种相邻的键，从而导致键合强度中氧原子的定位和性能不同。尽管乙酸乙烯酯中羰基键的氧原子具有较高的铝表面趋势，但马来酸的氧原子由于邻近的氢原子的较小特殊障碍而更靠近铝表面。这导致了不同共聚单体之间氧表面浓度的差异。如Kim等人先前所观察到的，分析取向函数表明乙酸乙烯酯和马来酸的羰基键在铝表面附近取向。[1]。与乙酸乙烯酯相比，发现马来酸在与铝的粘合中更有效的作用背后的主要原因是其键的取向和与铝表面的距离。