目的 研究导电油墨保护剂去除机理，为降低烧结所需能量、实现印刷电子的精准烧结提供参考依据。方法 通过分子动力学(MD)方法建立导电油墨中常使用的羧酸类小分子保护剂和聚合物保护剂模型，计算保护剂与银表面的相互作用能。结果 模拟计算结果表明，相互作用能大小主要与保护剂分子的相对分子质量、所含的官能团种类及其数量相关。保护剂的相对分子质量越大，与银表面之间的相互作用能绝对值越大，烧结后处理需要的能量越高;同时通过偶数碳羧酸保护剂与银表面的相互作用能拟合出线性曲线，可预测不同偶数碳链羧酸保护剂与银表面相互作用能。通过在铜版纸、聚酰亚胺(PI)薄膜2种柔性基材上进行近红外烧结实验可以明确，在导电油墨烧结过程中存在去除保护剂和致密化2个阶段，且2个阶段同步交叉进行，烧结温度越高，烧结进程越快。结论 揭示了导电油墨保护剂去除机理，有助于在配制导电油墨时选择合适的保护剂，实现精准烧结，节约能源。

The work aims to study the removal mechanism of the protective agent in conductive ink, so as to provide a reference basis for reducing sintering energy and realizing accurate sintering of printed electronics. The molecular dynamics (MD) method was used to establish models for protective agents containing carboxylic acids and polymers commonly used in conductive inks, to calculate the interaction energy between protective agents and silver surface. According to the simulation results, the magnitude of the interaction energy was mainly related to the relative molecular mass of protective agent and the variety and quantity of functional groups. With the increasing relative molecular mass of the protective agent, the absolute value of the interaction energy became greater and the energy for sintering became higher. At the same time, a linear curve was fitted by the interaction energy between the protective agent containing even number of carboxylic acid and the silver surface, which could also predict the interaction energy between the protective agent containing different even numbers of carboxylic acid and the silver surface. Through the near-infrared sintering experiments on two flexible substrates such as coated paper, and polyimide (PI) film, it was clear that there existed two stages in the sintering process of conductive ink:removal of protective agent and the densification process, and the two stages were conducted in synchronous crossing. As the sintering temperature increased, the sintering process became fast. The removal mechanism of the protective agent in conductive ink is revealed, which is conductive to selecting a suitable protective agent when preparing conductive ink, thus achieving precise sintering and saving energy.