成果归属作者：

王硕亮

成果归属机构：

能源学院

作者：

Zhang, Ruichao ; Yin, Yuqiong ; Wang, Shuoliang ; Yu, Chunlei ; Lid, Lei ; Jiang, Liangliang

单位：

China Univ Geosci Beijing, Sch Energy, Beijing 100083, Peoples R China;Dongying Vocat Inst, Dongying 257091, Peoples R China;Shengli Oilfield Co, Sinopec Corp, Res Inst Explorat & Dev, Dongying 257000, Peoples R China;Shandong Inst Petr & Chem Technol, Dongying 257061, Peoples R China;Univ Calgary, Dept Chem & Petr Engn, Calgary, AB, Canada

关键词：

GENERATION

摘要：

The contradictory characteristics of high internal pressure and long-term stability of nanobubbles (NBs) is a perplexing problem. To probe the microscopic mechanisms governing the NBs stability, the molecular dynamics simulation was adopted to analyze the dynamic properties of CO2-NBs across sizes of 3, 5, 7, and 10 nm in diameter. The results reveal that gas molecules in larger NBs (7 and 10 nm) exhibit lower diffusion coefficients, with the numbers of dissolved and precipitated molecules balanced, resulting in lower solubility. Interestingly, these stable NBs generally possess a unique multilayer structure: the core, transition layer, and diffusion layer. The core, with a diameter of 4 nm, has an extremely high gas density, while the density in the transition layer decreases as the radius increases. In the transition layer, gas molecules in the outer shells have lower density and water molecules have higher density as the radius increases, leading to higher internal pressure. Therefore, the outer shell always experiences greater pressure than the inner shell, with each shell layer collectively bearing the high internal pressure of the NB, thereby preventing molecular diffusion from the inner layers to the outer layers under the concentration gradient. In contrast, smaller NBs (3 and 5 nm) rapidly dissolve due to the absence of a multilayer structure.

基金：

Shandong Provincial Natural Science Foundation [ZR2025QC494]; Dongying Natural Science Foundation [2023ZR029]

语种：

英文

DOI：

10.1016/j.fuel.2025.136711

来源：

FUEL,2026():.

出版日期：

2026-02-01

提交日期：

2025-10-19

引用参考：

Zhang, Ruichao; Yin, Yuqiong; Wang, Shuoliang; Yu, Chunlei; Lid, Lei; Jiang, Liangliang. Molecular insight into the multilayer structure stability mechanism of CO2 nanobubbles[J]. FUEL,2026():.