Bio-oils are good substitutes for petrochemical oil, but their high oxygen contents result in poor oxidation stability. Therefore, anti-oxidants are essential to improve the oxidation stability of bio-oils. In this study, quantum chemistry has been used to analyze in detail the relationship between the structure and adsorption properties of bio-oils and silanol groups. A new type of rough-surface hollow mesoporous silica nanospheres (R-nCHMSNs) bearing abundant hydroxyl groups has been prepared using hydroxyl-group-rich nanocellulose as a template. In an evaluation of anti-oxidants for bio-oil, R-nCHMSNs showed excellent anti-oxidant properties. They formed hydrogen or ester bonds with oxygen-containing groups in bio-oil through their surface hydroxyl groups and wide channel structure, thus improving the oxidation stability of the bio-oil. Furthermore, the kinetics of adsorption of bio-oil on the R-nCHMSNs has been found to be in accordance with a second-order model.

生物油是石化油的良好替代品，但其含氧量高导致氧化稳定性差。因此，抗氧化剂对于提高生物油的氧化稳定性至关重要。在这项研究中，量子化学已被用于详细分析生物油和硅烷醇基团的结构和吸附性能之间的关系。以富含羟基的纳米纤维素为模板，制备了一种具有丰富羟基的新型粗糙表面中空介孔二氧化硅纳米球（R-nCHMSNs）。在对生物油抗氧化剂的评估中，R-nCHMSNs 显示出优异的抗氧化性能。它们通过表面羟基和宽通道结构与生物油中的含氧基团形成氢键或酯键，从而提高了生物油的氧化稳定性。