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Interfacial mechanical properties of tetrahydrofuran hydrate-solid surfaces: Implications for hydrate management
Journal of Colloid and Interface Science ( IF 9.4 ) Pub Date : 2022-09-19 , DOI: 10.1016/j.jcis.2022.09.081
Yanwen Lin 1 , Tong Li 2 , Senyun Liu 3 , Qiao Shi 4 , Ke Xu 4 , Zhisen Zhang 4 , Jianyang Wu 5
Affiliation  

Understanding the interfacial mechanical properties between hydrate and solids is vital to designing and fabricating surfaces for hydrate management. Herein, the role of the surface wettability, the type of solid substrate and temperature on the interfacial adhesion properties of tetrahydrofuran (THF) hydrate and ice were examined by force analysis based shearing measurements and molecular dynamics (MD) simulations. The results showed that the adhesion strength of THF hydrate and ice on silica varies with the compositions of coating, and the adhesion strength of ice is larger than that of THF hydrate for all investigated solid substrates. Particularly, in contrast to a linear relationship between 1 + cor and hydrate adhesion on organic silanes/thiols/polymer surfaces, the hydrate adhesion on the coated inorganic glass surfaces is enhanced as a function of 1 + cosθr, in which θr is the receding contact angle. MD simulations uncovered that the adhesion strength of ice on solid substrates is dominated by the quasi-liquid water layer, however, that of hydrate is governed not only by the quasi-liquid layer but also newly formed unconventional clathrate cages. This study provides new insights and perspectives into the hydrate adhesion on solid surfaces, which is of help to develop hydrate-phobic coatings for advanced hydrate management.



中文翻译:

四氢呋喃水合物-固体表面的界面机械性能:对水合物管理的影响

了解水合物和固体之间的界面机械特性对于设计和制造用于水合物管理的表面至关重要。在此,通过基于剪切测量和分子动力学(MD)模拟的力分析,研究了表面润湿性、固体基质类型和温度对四氢呋喃(THF)水合物和冰的界面粘附性能的作用。结果表明,THF水合物和冰在二氧化硅上的粘附强度随涂层成分的不同而变化,并且对于所有研究的固体基质,冰的粘附强度均大于THF水合物的粘附强度。特别地,与1+ cosθr和有机硅烷/硫醇/聚合物表面上的水合物粘附力之间的线性关系相反,涂覆的无机玻璃表面上的水合物粘附力作为1+cosθr的函数增强其中θ r是后退接触角。MD模拟发现,冰在固体基质上的粘附强度主要受准液态水层的影响,而水合物的粘附强度不仅受准液态层的影响,还受新形成的非常规包合物笼的影响。这项研究为固体表面上的水合物粘附提供了新的见解和视角,有助于开发用于先进水合物管理的疏水合物涂层。

更新日期:2022-09-19
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