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Effects of molecular polarity on the adsorption and desorption behavior of asphaltene model compounds on silica surfaces

机译：分子极性对二氧化硅表面沥青质模型化合物的吸附和解吸行为的影响

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摘要

Despite a large number of researches to understand the aggregation behavior and adsorption mechanism of asphaltene, the effects of asphaltene molecular structure on the adsorption/desorption behavior of asphaltene on rock surfaces remain scarce, which limits the understanding of the interaction mechanism under complex conditions and seriously restricts the development of heavy oil recovery technology. Here, in-situ adsorption/ desorption experiments combined with molecular dynamics simulations were used to fill in the gap. The results show: 1) on hydrophilic surfaces, the heteroatoms or polar groups present in the symmetrical components of asphaltene mainly determine the adsorption behavior; 2) on intermediate wettability surfaces, the adsorption of asphaltene is driven primarily by p-p stacking and hydrogen bonding interactions; 3) on hydrophobic surfaces, it is difficult to adsorb asphaltene due to the lack of polar sites and steric effects, but once adsorption occurs, it is difficult to be stripped off by low salinity water. Our results provide a simple strategy to investigate the adsorption behavior of asphaltene on rock surfaces using laboratory experiments and theoretical simulations, which not only contributes to fundamental understanding but also helps to develop a new guide for practical applications.
机译：尽管有大量的研究来了解沥青质的聚集行为和吸附机制，但沥青质分子结构对岩石表面上沥青质的吸附/解吸行为的影响仍然是稀缺，这限制了在复杂条件下对相互作用机制的理解限制重油回收技术的发展。这里，使用与分子动力学模拟相结合的原位吸附/解吸实验填补间隙。结果表明：1）在亲水表面上，沥青质对称组分中存在的杂原子或极性基团主要决定吸附行为; 2）在中间润湿性表面上，沥青质的吸附主要通过P-P堆叠和氢键相互作用驱动; 3）在疏水表面上，由于缺乏极性位点和空间效应，难以吸附沥青质，但是一旦发生吸附，难以通过低盐水剥离。我们的结果提供了一种简单的策略，以研究使用实验室实验和理论模拟的岩石体对岩石表面的吸附行为，不仅有助于对基础知识有贡献，而且有助于开发一个新的实际应用指南。

著录项

  • 来源
    《Fuel》 |2021年第15期|118990.1-118990.11|共11页
  • 作者

    Liu Fanghui; Yang Hui; Yang Ming; Wu Jiazhong; Yang Siyu; Yu Danfeng; Wu Xu; Wang Jingyi; Gates Ian; Wang Jinben;

  • 作者单位

    Chinese Acad Sci Inst Chem CAS Key Lab Colloid Interface & Chem Thermodynam Beijing 100190 Peoples R China|Univ Chinese Acad Sci Beijing 100049 Peoples R China;

    Chinese Acad Sci Inst Chem CAS Key Lab Colloid Interface & Chem Thermodynam Beijing 100190 Peoples R China;

    Chinese Acad Sci Inst Chem CAS Key Lab Colloid Interface & Chem Thermodynam Beijing 100190 Peoples R China;

    PetroChina Res Inst Petr Explorat & Dev State Key Lab Enhanced Oil Recovery Beijing 100083 Peoples R China;

    PetroChina Res Inst Petr Explorat & Dev State Key Lab Enhanced Oil Recovery Beijing 100083 Peoples R China;

    Guangzhou Univ Dept Chem & Chem Engn Guangzhou 510006 Guangdong Peoples R China;

    Guangzhou Univ Dept Chem & Chem Engn Guangzhou 510006 Guangdong Peoples R China;

    Univ Calgary Dept Chem & Petr Engn Calgary AB T2N 1N4 Canada;

    Univ Calgary Dept Chem & Petr Engn Calgary AB T2N 1N4 Canada;

    Chinese Acad Sci Inst Chem CAS Key Lab Colloid Interface & Chem Thermodynam Beijing 100190 Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Molecular polarity; Asphaltene; Adsorption and desorption behavior; Interaction mechanism; Surface wettability;

    机译：分子极性;沥青质;吸附和解吸行为;相互作用机制;表面润湿性;

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