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| Molecular dynamics simulation of methane adsorption with presence of water on different wettability quartz surface |
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JIAO Hongyan1,2, DONG Mingzhe1, LIU Zhongwei2, JIN Yanxin3, HAN Xu4
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(1．School of Petroleum Engineering in China University of Petroleum, Qingdao 266580, China;2.Xianhe Oil Production Plant of Shengli Oilfield Branch Company, SINOPEC, Dongying 257068, China;3.Research Institute of Shengli Oilfield Branch Company, SINOPEC, Dongying 257000, China;4.School of Chemisty and Chemical Engineering in Shandong University, Jinan 250100, China)
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| Abstract: |
| Molecular dynamics (MD) simulation was performed to investigate the effect of surface wettability of quartz on the adsorption behavior of methane (CH4) in the slit of quartz under water environment. The simulation results show that as to strong hydrophilic quartz surface, the water molecules adsorb on the quartz surface preferentially, while the CH4 molecules aggregate at the center of the slit. When the quartz surface is strong hydrophobic, the CH4 molecules adsorb on the quartz surface preferentially, while the water molecules aggregate at the center of the slit. However, when the quartz surface is intermediate wettability, the quartz surface has no preferential adsorption to water and CH4 molecules. The interaction energy between water or CH4 molecules and quartz surface with different wettability is calculated, respectively. The results show that the water/solid interaction is the main driving force for the methane adsorption on rocks surface under the water environment. |
| Key words: methane adsorption wettability molecular dynamics simulation |
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