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学者姓名：饶诗杭
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Abstract ：
The sequential co-transportation of ammonia and refined oil has emerged as an efficient strategy to address the growing demand for large-scale onshore ammonia transportation. The interfacial characteristics between these fluids critically govern the evolution of the ammonia-oil mixing zone, which can directly affect the purity of ammonia and oil products. In this work, molecular dynamics simulations were employed to investigate the effect of temperature and pressure on the interfacial characteristics between ammonia and refined oil, with isooctane as the representative of refined oil. The results demonstrated that the increased temperature (280-300 K) and the decreased pressure (2-50 MPa) can disrupt the interfacial molecules, causing the ammonia-isooctane interface to become thicker and rougher. Under high temperature and low pressure, the voids at the interface of the isooctane phase can be expanded, and the ammonia-ammonia hydrogen bonds can be weakened, which can enhance the diffusion of ammonia molecules into the isooctane phase. Besides, the diffusion of ammonia molecules in ammonia phase can be promoted under high temperature and low pressure, and the diffusion coefficient of interfacial ammonia in the direction perpendicular to the interface is 1.4-1.8 times that of bulk ammonia in all directions and that of interfacial ammonia in the direction parallel to the interface. In addition, the increase in the thickness and roughness of the interface can lead to a decrease in the interfacial tension.
Keyword ：
Ammonia Ammonia Interfacial characteristics Interfacial characteristics Interfacial tension Interfacial tension Molecular dynamics simulation Molecular dynamics simulation
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| GB/T 7714 | Teng, Lin , Liu, Yi , Li, Zhenchao et al. The effect of temperature and pressure on the interfacial characteristics between ammonia and refined oil: A molecular dynamics simulation study [J]. | CHEMICAL ENGINEERING SCIENCE , 2025 , 320 . |
| MLA | Teng, Lin et al. "The effect of temperature and pressure on the interfacial characteristics between ammonia and refined oil: A molecular dynamics simulation study" . | CHEMICAL ENGINEERING SCIENCE 320 (2025) . |
| APA | Teng, Lin , Liu, Yi , Li, Zhenchao , Rao, Shihang , Huang, Xin , Li, Jiaqing et al. The effect of temperature and pressure on the interfacial characteristics between ammonia and refined oil: A molecular dynamics simulation study . | CHEMICAL ENGINEERING SCIENCE , 2025 , 320 . |
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Abstract ：
The surface effect of certain material such as silicon wafer, quartz or mica on the formation of CO2 hydrate is studied by in situ visual observation of CO2 gas reacting with a water droplet in a restricted space. The results obtained show that the growing process of CO2 hydrate in a restricted space can be divided into two consecutive stages, hydrate covering at gas-liquid interface and hydrate spreading on solid surface. It is indicated that hydrate spreads on solid surface by continuous formation at the advancing frontier, suggesting that water for hydrate formation might be delivered through both lateral and vertical transmitting path, and lateral driving force for water migration might play a dominant role. Qualitative and quantitative analyses show that solid surface properties play a significant role on hydrate spreading process, probably affecting both the interfacial interaction of hydrates with solid surface and water moving process near solid surfaces.
Keyword ：
CO2 hydrate CO2 hydrate hydrate formation hydrate formation restricted space restricted space surface property surface property wettability wettability
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| GB/T 7714 | Rao, Shihang , Li, Zhenchao , Lu, Hailong et al. Effect of solid surface properties on CO2 hydrate propagation and capillary mechanism [J]. | AICHE JOURNAL , 2025 , 71 (5) . |
| MLA | Rao, Shihang et al. "Effect of solid surface properties on CO2 hydrate propagation and capillary mechanism" . | AICHE JOURNAL 71 . 5 (2025) . |
| APA | Rao, Shihang , Li, Zhenchao , Lu, Hailong , Deng, Yajun . Effect of solid surface properties on CO2 hydrate propagation and capillary mechanism . | AICHE JOURNAL , 2025 , 71 (5) . |
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Gas hydrates are crystalline solids, where gas molecules are trapped in cavities constructed by hydrogen-bonded water molecules under relatively high-pressure and low-temperature conditions. Hydrates play a crucial role in the global energy system, serving as possible blockages in traditional oil and gas transportation, ideal clean energy sources formed naturally, and a potential long-term carbon sequestration media. Besides, it is with great potential to apply hydrate-based technology in environmental fields, such as gas separation and purification, seawater desalination, wastewater purification, etc. Whether in natural or industrial systems, hydrates share interfaces with a variety of substances, including gases, different liquids (such as oil, aqueous solutions), and different solids (such as sediments, pipe walls), among others. For the enhanced progress of hydrate-based technology, it is of great significance to conduct an in-depth study into the unique features of hydrate formation at interfaces and the corresponding factors. On the basis, this paper reviews the significant insights generated by recent researches in understanding of hydrate nucleation and growth mechanisms at interfaces. Special focus is laid on the interactions among gas, liquid and solid, as well as the impacts of other prominent factors (driving force, additives, gas composition etc.) on hydrate formation. The essential physical and chemical insights presented in this review may be of worth in better design of the research methods and industrial applications.
Keyword ：
Hydrate formation Hydrate formation Interface Interface Nucleation Nucleation Solid surface effect Solid surface effect Surface Surface
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| GB/T 7714 | Rao, Shihang , Li, Zhenchao , Lu, Hailong et al. A review of gas hydrate formation characteristics at interfaces [J]. | FUEL , 2025 , 392 . |
| MLA | Rao, Shihang et al. "A review of gas hydrate formation characteristics at interfaces" . | FUEL 392 (2025) . |
| APA | Rao, Shihang , Li, Zhenchao , Lu, Hailong , Deng, Yajun . A review of gas hydrate formation characteristics at interfaces . | FUEL , 2025 , 392 . |
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Based on the in situ observation of methane hydrate formation in restricted spaces by confocal Raman imaging microscopy, a bubble intrusion mechanism is proposed. Hydrates are found to form both at the gas-water-solid triple-phase contact line and at the gas-water interface. Hydrates at the triple-phase contact line can form capillary channels with solid surfaces. The formed capillary channels can force the water inside the droplet to diffuse outward, leading to shrinkage of the droplet edge and generation of gas bubbles inside the droplet. Hydrates can then rapidly form at the bubble-solution interface. With the method of Raman imaging, gas channels are found in the interfacial hydrates, acting as bridges connecting bubbles and the surrounding solution. Through these gas channels, methane gas can dissolve rapidly into the solution in the droplets, thereby promoting the formation of hydrates in the droplets.
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| GB/T 7714 | Li, Zhenchao , Cai, Wenjiu , Deng, Yajun et al. Bubble Evolution and Its Effects on Methane Hydrate Formation in a Restricted Space [J]. | ENERGY & FUELS , 2024 , 38 (23) : 22876-22884 . |
| MLA | Li, Zhenchao et al. "Bubble Evolution and Its Effects on Methane Hydrate Formation in a Restricted Space" . | ENERGY & FUELS 38 . 23 (2024) : 22876-22884 . |
| APA | Li, Zhenchao , Cai, Wenjiu , Deng, Yajun , Rao, Shihang , Zhang, Qian , Lu, Hailong . Bubble Evolution and Its Effects on Methane Hydrate Formation in a Restricted Space . | ENERGY & FUELS , 2024 , 38 (23) , 22876-22884 . |
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