| 摘要: |
| 基于分子动力学研究了水化硅酸钙（C-S-H）及分别涂覆氧化石墨烯（GO）涂层和氧化石墨烯/硅烷（GS）复合涂层纳米孔道中的水分传输过程.结果表明：富含羟基和环氧基的GO涂层提供的大量氢键位点会加速水分的传输；GS复合涂层通过离子键的相互作用，与C-S-H基体产生有效结合，其裸露的疏水性尾链可以有效抑制水分的传输. |
| 关键词: 耐久性 分子动力学 氧化石墨烯/硅烷复合涂层 毛细传输 |
| DOI：10.3969/j.issn.1007-9629.2023.09.012 |
| 分类号:TU503 |
| 基金项目:山东省自然科学基金资助项目（ZR202111250166） |
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| Molecular Dynamics Simulation of Transport of Graphene Oxide/Silane Composite Coatings |
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YU Jiao1,2, LI Mengmeng1,2, CHAI Songyue1, JIN Zuquan1,2, GUAN Jing1
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1.School of Civil Engineering， Qingdao University of Technology， Qingdao 266520， China;2.Engineering Research Center of Concrete Technology under Marine Environment， Qingdao University of Technology， Qingdao 266520， China
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| Abstract: |
| The water transport processes in calcium silicate hydrated（C-S-H） nanopores， coated graphene oxide（GO） and coated graphene oxide/silane（GS） composite coatings nanopores were investigated based on molecular dynamics. The results show that the large number of hydrogen bonding sites provided by the GO coating rich in hydroxyl and epoxy groups accelerates the water transport. The GS composite coating effectively binds to the C-S-H matrix through ionic bonding interactions and its exposed hydrophobic tail chains can effectively inhibit the water transport process. |
| Key words: durability molecular dynamics graphene oxide/silane composite coating capillary transport |
