Investigating the Interactions of the Saturate, Aromatic, Resin, and Asphaltene Four Fractions in Asphalt Binders by Molecular Simulations

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• 作者：Peng Wang ; Ze-jiao Dong ; Yi-qiu Tan ; Zhi-yang Liu
• 刊名：Energy & Fuels
• 出版年：2015
• 出版时间：January 15, 2015
• 年：2015
• 卷：29
• 期：1
• 页码：112-121
• 全文大小：494K
• ISSN：1520-5029

文摘

Molecular dynamics provides a powerful tool to understand the elusive structure鈥損erformance relationship of asphalts. The combined molecular models were selected to investigate the interactions of the saturate, aromatic, resin, and asphaltene (SARA) four fractions and the correlation between fractions and the 鈥渂ee-like structures鈥?by atomic force microscopy in asphalts. The results showed that van der Waals was the main force to control intermolecular interactions. The arrangement of SARA fractions largely conformed to the modern colloid theory. However, some alkanes, sulfides, and condensed aromatics had different behaviors. Long-chain alkanes inserted into layers of asphaltenes, and small sulfides without long alkyl chains adhered to large sulfides or asphaltenes; nevertheless, counterpart condensed aromatics became much closer to those molecules. Strong interactions between the dispersed phase and continuous phase generated a larger size and greater number of 鈥渂ee structures鈥? Asphaltenes played as a core, and long-chain paraffin played as an inducer, to affect the distribution of 鈥渂ee structures鈥?