To effectively remove cooking-generated oil fume fouling, it is necessary to understand the chemical compositions of fouling, its evolution in the aging process, and its effects on adhesion performance. In this study, the fouling was simulated using soybean oil. The chemical compositions after undergoing different aging time were analyzed by GC–MS, 1H NMR, and so on. The interaction energies were investigated by the molecular dynamic simulation. The analysis results showed that fouling composition gradually evolved from linoleic-linoleic-linoleic triglyceride (LLL), palmitic-linoleic-linolenic triglyceride (PLLn), and linoleic-linoleic-oleic triglyceride (LLO) to primary oxidation products (hydroperoxides) and secondary oxidation products (such as epoxides, alcohols, and aldehydes). The simulation found that the interaction energies between molecules in fouling, between fouling layers, and between fouling and substrate increased continuously during aging. The former two were attributed to the increases in van der Waals interactions, while the latter was attributed to the rise in electrostatic interactions caused by oxidation products. Meanwhile, the weakest interaction energy between two fouling layers was a vulnerability of the fouling adhesion process. The experimental measurement of peeling force of fouling layers and fouling-substrate verified the simulation results. These findings can guide the design and development of the cleaning agents for fouling.

中文翻译：

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蒸煮产生的油烟污垢的化学成分和粘附性能：实验研究和分子模拟


为了有效去除烹饪产生的油烟污垢，有必要了解污垢的化学成分、它在老化过程中的演变及其对粘合性能的影响。在这项研究中，使用大豆油模拟了结垢。通过 GC-MS、1H NMR 等分析不同老化时间后的化学成分。通过分子动力学模拟研究了相互作用能。分析结果表明，污垢组成由亚油酸-亚油酸-亚油酸甘油三酯（LLL）、棕榈酸-亚油酸-亚麻酸甘油三酯（PLLn）和亚油酸-亚油酸-油酸甘油三酯（LLO）逐渐演变为初级氧化产物（氢过氧化物）和二级氧化产物（如环氧化物、醇类和醛类）。模拟发现，在老化过程中，污垢中的分子之间、污垢层之间以及污垢与基材之间的相互作用能不断增加。前两者归因于范德华相互作用的增加，而后者归因于氧化产物引起的静电相互作用的增加。同时，两个污垢层之间最弱的相互作用能是污垢粘附过程的脆弱性。对结垢层和结垢基材剥离力的实验测量验证了仿真结果。这些发现可以指导污垢清洁剂的设计和开发。