Aromatic Ring Index (ARI): A Characterization Factor for Nonpolar Hydrocarbons from Molecular Weight and Refractive Index,Energy & Fuels

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Aromatic Ring Index (ARI): A Characterization Factor for Nonpolar Hydrocarbons from Molecular Weight and Refractive Index
Energy & Fuels ( IF 5.2 ) Pub Date : 2021-01-11 , DOI: 10.1021/acs.energyfuels.0c03184
Mohammed I. L. Abutaqiya ₁ , Ali A. AlHammadi _{2,

3} , Caleb J. Sisco ₁ , Francisco M. Vargas _{1,

4}

Affiliation

Crude oils consist of tens of thousands of components belonging to various hydrocarbon families, including n-alkanes, cyclo-alkanes, and aromatics. Because the experimental determination of the composition and molecular structure of each component is an infeasible task, it is common to use characterization factors that describe the nature of the pseudo fractions based on their bulk thermophysical properties. In this work, a new characterization factor, called the aromatic ring index (ARI), is developed based on measurements of molecular weight and refractive index. Unlike other popular characterization factors (e.g., Watson’s K_w), ARI can clearly distinguish between various hydrocarbon families. Additionally, and most importantly, ARI can provide a quantitative measure of the aromaticity of the hydrocarbon of interest as it provides a rough indication of the number of aromatic rings contained within the molecular structure. Applications of the new ARI concept to well-defined mixtures of hydrocarbons as well as true boiling point (TBP) distillation data of bitumen and heavy oils indicate that ARI shows reasonable trends consistent with the current understanding of the nature of petroleum fractions. Additionally, the concept of ARI can be used to explain some of the apparent discrepancies in the reported results from popular characterization methodologies for asphaltenic systems. Unlike other measures of aromaticity, ARI shows a clear monotonic trend in the aromaticity of the saturates-aromatics-resins-asphaltenes fractions with asphaltenes as most aromatic, which is consistent with the current understanding of asphaltenes.

中文翻译：

芳香环指数（ARI）：非极性烃的分子量和折射率表征因子

原油由成千上万个属于各种烃族的组分组成，包括正构烷烃，环烷烃和芳烃。由于实验确定每种组分的组成和分子结构是一项不可行的任务，因此通常使用基于伪热馏分的整体热物理性质描述其特征的表征因子。在这项工作中，基于分子量和折射率的测量结果，开发了一种称为芳香环指数（ARI）的新表征因子。与其他流行的表征因素不同（例如，沃森的K _w），ARI可以清楚地区分各种烃类。另外，最重要的是，ARI可以提供目标烃的芳香性的定量度量，因为它可以粗略地指示分子结构中所含芳香环的数量。将新的ARI概念应用于定义明确的碳氢化合物混合物以及沥青和重油的真实沸点（TBP）蒸馏数据表明，ARI显示出与当前对石油馏分性质的了解一致的合理趋势。此外，ARI的概念可用于解释来自沥青质体系流行表征方法的报告结果中的某些明显差异。不像其他的芳香措施

更新日期：2021-01-21

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