Molecular Characterization of Formulated Lubricants and Additive Packages Using Kendrick Mass Defect Determined by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry,ACS Environmental Au

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Molecular Characterization of Formulated Lubricants and Additive Packages Using Kendrick Mass Defect Determined by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
ACS Environmental Au ( IF 6.7 ) Pub Date : 2022-06-16 , DOI: 10.1021/jasms.2c00050
Oscar Lacroix-Andrivet _{1,

2,

3} , Samira Moualdi ₁ , Marie Hubert-Roux _{2,

3} , Corinne Loutelier Bourhis ₂ , Anna Luiza Mendes Siqueira _{1,

2} , Carlos Afonso _{2,

3}

Affiliation

Formulated lubricants correspond to high value products used for several applications in automotive, industrial, medicinal, and agro-food sectors. They correspond to complex matrices composed of approximately 80% of base oils (mineral or synthetic) and of about 20% of additives. Additives are generally low molecular weight polymeric molecules with a great diversity of elements. To characterize such complex compositions at the molecular level, ultrahigh resolution mass spectrometers are required. Two formulated lubricants and two additive packages were analyzed by Fourier transform ion cyclotron resonance mass spectrometry in direct infusion. Atmospheric pressure chemical ionization (APCI) and electrospray ionization (ESI) sources were used to have an exhaustive characterization of the samples. The Kendrick mass defects (KMD) plot is a widespread representation to characterize polymeric molecules. Here, the terms apparent mass defect and apparent Kendrick mass defects (aKMD) values were introduced to consider the uncertainty on nominal mass determination. Several additive families including alkyldiphenylamines, trisalkylphenylthiophosphoric acid, zinc dithiophosphates, bisuccinimide dispersants, and their derivatives were observed by APCI(+). ESI(−) also presented a use for the selective ionization of acidic compounds including sulfonates, phenates, and sulfur phenate molecules. The specific aKMD values and polydispersity of many additive families have been reported to create a database of additives. Overall, this study demonstrated the great utility of the aKMD approach and the use of the ESI/APCI combination for a simple and fast characterization of formulated lubricant and additive package samples.

中文翻译：

使用傅里叶变换离子回旋共振质谱法确定的 Kendrick 质量缺陷对配方润滑剂和添加剂包进行分子表征

配方润滑剂对应于用于汽车、工业、医药和农业食品领域的多种应用的高价值产品。它们对应于由大约 80% 的基础油（矿物油或合成油）和大约 20% 的添加剂组成的复杂基质。添加剂通常是具有多种元素的低分子量聚合物分子。为了在分子水平上表征这种复杂的成分，需要超高分辨率质谱仪。通过傅里叶变换离子回旋共振质谱在直接输注中分析了两种配方润滑剂和两种添加剂包。使用大气压化学电离 (APCI) 和电喷雾电离 (ESI) 源对样品进行详尽的表征。Kendrick 质量缺陷 (KMD) 图是表征聚合物分子的广泛表示。在这里，引入术语表观质量缺陷和表观 Kendrick 质量缺陷 (aKMD) 值来考虑标称质量测定的不确定性。APCI(+) 观察到几个添加剂系列，包括烷基二苯胺、三烷基苯硫代磷酸、二硫代磷酸锌、双琥珀酰亚胺分散剂及其衍生物。ESI(-) 还提出了一种用于选择性电离酸性化合物的用途，包括磺酸盐、酚盐和硫酚盐分子。据报道，许多添加剂家族的特定 aKMD 值和多分散性可创建添加剂数据库。全面的，

更新日期：2022-06-16

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