钢轧制润滑减摩/防锈剂的竞争吸附与复配协同增效的理论研究

To solve the problem of the surface abrasion and oxidation of strip steel during cold-rolling process which is long plagued with people as a guide and with the investigation of the antirust/antifriction mechanism of antirust/antifriction agent upon steel surface in rolling lubricant as the breakthrough point. Density functional theory is introduced into the mechanism research, the investigation of the evolution rule of the composition and structure of antirust/antifriction agent as well as the molecular reactive sites and the distribution in rolling is to be carried out by using methods of materials science. The interaction between antirust/antifriction agent and the steel surface in lubricated rolling is further to be explored. The research emphasis is put on investigation the rules and mechanisms of the competitive adsorption and synergies interaction, the lubricated rolling effect as well as the metal characteristics after surface adsorption. As a result, the adsorption model with different directions of steel in rolling deformation zone is to be established. Through theoretical analysis, numerical simulation and experimental research, the competitive adsorption and synergies interaction role to form the active site of antirust/antifriction agent absorbed on the steel surface from the view of first principles is to be explained as well as the influence between antirust/antifriction and lubrication effect. Interaction mechanism between antirust/antifriction agent and steel surface during rolling process is expected to be revealed. Antirust/antifriction agent in steel lubricant is expected to be guiding design and synthesize from the atomic level of quantitative structure-activity relationship (QSAR). Combined with lubricated rolling and antirust/antifriction mechanism, the questions of the surface oxidation or oxide film shedding of strip steel is to be provided the theoretical basis. Study of high surface and high performance of strip steel also potential has the extremely high theory and application value.

以解决长期困扰板带钢冷轧过程表面磨损、氧化导致锈蚀问题为导向，以研究轧制润滑中减摩剂与防锈剂对钢板表面减摩与防锈作用机理为切入点，将密度泛函理论引入机理研究，运用材料学方法，研究添加剂结构、组成以及分子反应活性位点与分布的演变规律，借此进一步探讨轧制润滑添加剂与钢板表面的相互作用，重点研究减摩/防锈剂的竞争吸附与协同增效，以及对轧制润滑、金属特性的影响规律与机制，建立添加剂在钢板表面的吸附模型。通过理论分析、模拟计算与实验研究，从第一性原理角度解释减摩/防锈剂分子活性位点在钢板表面的竞争吸附与协同增效作用以及对减摩、防锈与润滑效果的影响，揭示减摩/防锈剂在钢板表面交互作用机理，有望从原子层面的定量构效关系(QSAR)来指导设计合成钢板轧制润滑中的减摩/防锈剂，并结合轧制润滑与防锈作用机理为解决钢板表面氧化的问题提供理论基础，同时在钢板高表面质量高性能研究方面也潜在着很高的理论及应用价值。

以解决长期困扰板带钢冷轧过程表面磨损、氧化导致锈蚀问题为导向，以研究轧制润滑中减摩剂与防锈剂对钢板表面减摩与防锈作用机理为切入点，将密度泛函理论引入机理研究，运用第一性原理建立了轧制变形区减摩剂与防锈剂在金属表面的吸附模型，探明了减摩剂与防锈剂复配协同增效作用机制；开发了SiO2增强的B-N共掺杂的还原氧化石墨烯纳米复合材料，阐明了摩擦过程中纳米粒子在金属表面的摩擦磨损机理；揭示了轧制变形区减摩剂与防锈剂组成的摩擦保护膜在金属表面的微观形成机制及其对润滑性能的影响规律。为解决钢板表面氧化的问题提供理论基础，同时在钢板高表面质量高性能研究方面也潜在着很高的理论及应用价值。