(1. 北京科技大學 材料科學與工程學院，北京 100083；
2. 滄州華海煉油化工有限責任公司，滄州 061000)
摘 要: 結合分子動力學模擬與摩擦學實驗，從微觀與宏觀尺度分別對含亞磷酸二正丁酯(T304)、硫代磷酸復酯銨(T307)以及二烷基二硫代磷酸酯(DDE)的鋁材軋制油的摩擦學性能進行研究。基于分子動力學模擬研究鋁材軋制油的分子吸附能與限制剪切摩擦因數；利用四球摩擦磨損實驗研究軋制油的極壓性能；利用萬能摩擦磨損實驗研究軋制油的減摩性能；進行軋制實驗并通過EDS對鋁板的軋后表面進行分析。結果表明：上述三種添加劑均可以使鋁材軋制油獲得優(yōu)異的極壓性能與減摩性能，其中，添加T304后軋制油性能最佳。在基礎油中添加1%(質量分數)T304時，獲得的鋁材軋制油油膜強度達到1117 N，相比于基礎油，其油膜強度提高235%，摩擦因數減小41%，軋后鋁板表面質量大幅度提升。基于分子動力學模擬，可預測鋁材軋制油的極壓、減摩等使用性能，并在微觀尺度分析其作用機理，且模擬數據準確可靠，滿足高效制備優(yōu)異性能的鋁材軋制油需求。
關鍵字: 鋁材軋制油；添加劑；分子動力學模擬；摩擦學性能；限制剪切
（1. School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China;
2. Huahai Refinery and Petrochemical Co., Ltd., Cangzhou 061000, China）
Abstract:The tribological properties of aluminum rolling oil added with dibutyl phosphite(T304), ammonium diphosphate(T307) and dialkyl dithiophosphate(DDE) were studied by molecular dynamics simulation and tribological experiments. The molecular adsorption energy and the confined shear friction coefficient of the rolling oil were studied by molecular dynamics simulation. The extreme pressure performance of the rolling oil was studied by four-ball wear tester. The antifriction performance of the rolling oil was studied by steel-aluminum friction pairs. And the rolled surface morphology of aluminum strip was also studied by EDS. The results show that all aluminum rolling oil has excellent extreme pressure and friction reduction properties after adding additives, among which T304 is the best. When 1% (mass fraction) T304 is added to the base oil, the maximum non-seizure load reaches 1117 N. The friction coefficient decreases by 41%. And the rolled surface morphology of aluminum strip is the optimal. Based on the molecular dynamics simulation, the extreme pressure and antifriction performance of aluminum rolling oil can be predicted in micro scale. And the mechanism was also analyzed in micro scale. The simulation data are accurate and reliable, which can meet the demand of high-efficiency preparation of aluminum rolling oil with excellent performance.
Key words: aluminum rolling oil; additive; molecular dynamics simulation; tribological property; confined shear
