This paper reveals the working mechanisms of a hybrid bio-oil (HY) which plays as a multifunctional agent by desorbing bitumen molecules from siliceous surfaces and peptizing them within the bitumen colloidal structure. This in turn counteracts some of the negative effects of bitumen’s aging. Recently, it was found that aging increases associated interfacial bonds at the bitumen-stone interface and promotes self-association of bitumen molecules. These negatively affects bitumen extraction from siliceous substrates, such as shale, and bitumen recycling from aged roads, airports, bridge decks, and roofs to name a few. Abovementioned extraction and recycling involve detachment of molecules of aged bitumen from stone aggregates and adequately peptizing them within the bitumen matrix. Here, we used molecular modeling and laboratory experiments to elucidate how HY facilitates the detachment and subsequent peptizing of bitumen molecules while ensures the durability. Our modeling showed that HY has two important properties: HY is a strong peptizing agent due to its interactions with molecules in aged bitumen; and HY supersedes molecules of bitumen for adsorption to siliceous surface due to HY’s higher affinity toward silica active sites. According to our results, heterocyclic HY molecules (1-butyl-Piperidine and N-methyl-2-Pyrrolidone) lead by neutralizing the polar interactions between oxidized bitumen and silica, thus providing an opportunity for other HY molecules to intercalate into the interface and replace the oxidized bitumen on silica. Thus, HY makes a promising rejuvenator, which can revitalize aged bitumen by simultaneously desorbing and peptizing aged bitumen molecules. HY’s preferential adsorption to silica combined with its high resistance to be replaced by water further helps improve the resistance of revitalized bitumen to moisture-induced damages, evidenced in our experiment. Therefore, HY can be a promising multifunctional bio-agent for extraction and recycling of bitumen to promote environmental sustainability and resource conservation.

本文揭示了混合生物油 (HY) 的工作机制，它通过从硅质表面解吸沥青分子并将它们胶溶在沥青胶体结构中而发挥多功能作用。这反过来抵消了沥青老化的一些负面影响。最近，发现老化增加了沥青-石材界面处的相关界面键并促进了沥青分子的自缔合。这些会对从硅质基质（例如页岩）中提取沥青以及从老化道路、机场、桥面和屋顶等回收沥青产生负面影响。上述提取和回收涉及从石骨料中分离老化的沥青分子并在沥青基质中充分胶溶它们。这里，我们使用分子建模和实验室实验来阐明 HY 如何在确保耐久性的同时促进沥青分子的分离和随后的胶溶。我们的模型表明 HY 有两个重要特性： HY 是一种强胶溶剂，因为它与老化沥青中的分子相互作用；由于 HY 对二氧化硅活性位点的亲和力更高，因此 HY 取代了沥青分子以吸附到硅质表面。根据我们的研究结果，杂环 HY 分子（1-丁基-哌啶和 N-甲基-2-吡咯烷酮）通过中和氧化沥青和二氧化硅之间的极性相互作用来引导，从而为其他 HY 分子插入界面并取代二氧化硅上的氧化沥青。因此，HY 是一个很有前途的回春剂，它可以通过同时解吸和胶溶老化沥青分子来使老化沥青恢复活力。HY 对二氧化硅的优先吸附与其对被水置换的高抵抗力相结合，进一步有助于提高再生沥青对水分引起的损害的抵抗力，我们的实验证明了这一点。因此，HY 可以成为一种很有前途的多功能生物制剂，用于沥青的提取和回收，以促进环境可持续性和资源节约。