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Molecular Dynamics Simulation and Experimental Study of Tribological Behavior of Dimethyl Carbonate–Diesel Blends in Synthetic Base Oil
Tribology Transactions ( IF 2.1 ) Pub Date : 2020-12-22 , DOI: 10.1080/10402004.2020.1840686
Tao Jiang 1, 2 , Fukang Deng 2, 3 , Yuanyuan Wu 1, 2 , Qing Feng 1, 2 , Shuai Zou 1, 2 , Fuchuan Huang 1, 2
Affiliation  

Abstract

Oxygenated fuel is recognized as an effective alternative fuel for the petrochemical industry. Studies have shown that using a mixture of dimethyl carbonate (DMC) and diesel fuel can help reduce soot emissions. Due to incomplete combustion of some diesel fuel, a small amount of fuel will inevitably enter to the engine oil and cause engine oil dilution. Herein, the tribological properties of DMC–diesel blends in different base oils are investigated for the first time using ball-on-disc tribotests and molecular dynamics (MD) simulation. The experiments combined with MD simulation show that the trimellitate and alkyl naphthalene can effectively inhibit the deterioration of friction and wear characteristics caused by engine oil dilution. Analysis results revealed that the benzene ring structure and long chain of trimellitate and alkyl naphthalene have higher adsorption energy on the Fe (110) and can form an adsorption film to resist the deterioration due to fuel dilution. The findings offer a new potential application of oxygenated fuel in lubrication and tribology.



中文翻译:

碳酸二甲酯-柴油共混物在合成基础油中的分子动力学模拟和摩擦学实验研究

摘要

含氧燃料被公认为石化行业的有效替代燃料。研究表明,使用碳酸二甲酯(DMC)和柴油燃料的混合物可以帮助减少烟尘排放。由于某些柴油的不完全燃烧,少量的燃油将不可避免地进入机油并引起机油稀释。在本文中,首次使用圆盘球摩擦试验和分子动力学(MD)模拟研究了DMC-柴油混合物在不同基础油中的摩擦学性能。实验与MD模拟相结合表明,偏苯三酸酯和烷基萘可以有效抑制因机油稀释而引起的摩擦磨损性能的下降。分析结果表明,偏苯三酸酯和烷基萘的苯环结构和长链在Fe(110)上具有较高的吸附能,并且可以形成吸附膜以抵抗燃料稀释引起的劣化。这些发现为含氧燃料在润滑和摩擦学领域提供了新的潜在应用。

更新日期:2020-12-22
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