Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge
Abstract Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surfa...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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SpringerOpen
2018-04-01
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| Series: | Nanoscale Research Letters |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1186/s11671-018-2521-6 |
| _version_ | 1797716950575480832 |
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| author | Shijing Xu Jingyao Wang Jiazhong Wu Qingjie Liu Chengzhen Sun Bofeng Bai |
| author_facet | Shijing Xu Jingyao Wang Jiazhong Wu Qingjie Liu Chengzhen Sun Bofeng Bai |
| author_sort | Shijing Xu |
| collection | DOAJ |
| description | Abstract Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm2, the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities. |
| first_indexed | 2024-03-12T08:29:07Z |
| format | Article |
| id | doaj.art-b99740abff1041b2b4ba7a63e440783a |
| institution | Directory Open Access Journal |
| issn | 1931-7573 1556-276X |
| language | English |
| last_indexed | 2024-03-12T08:29:07Z |
| publishDate | 2018-04-01 |
| publisher | SpringerOpen |
| record_format | Article |
| series | Nanoscale Research Letters |
| spelling | doaj.art-b99740abff1041b2b4ba7a63e440783a2023-09-02T17:53:10ZengSpringerOpenNanoscale Research Letters1931-75731556-276X2018-04-011311910.1186/s11671-018-2521-6Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface ChargeShijing Xu0Jingyao Wang1Jiazhong Wu2Qingjie Liu3Chengzhen Sun4Bofeng Bai5State Key Laboratory of Enhanced Oil Recovery, Research Institute of Petroleum Exploration and Development of PetroChinaState Key Laboratory of Enhanced Oil Recovery, Research Institute of Petroleum Exploration and Development of PetroChinaState Key Laboratory of Enhanced Oil Recovery, Research Institute of Petroleum Exploration and Development of PetroChinaState Key Laboratory of Enhanced Oil Recovery, Research Institute of Petroleum Exploration and Development of PetroChinaState Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong UniversityState Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong UniversityAbstract Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm2, the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.http://link.springer.com/article/10.1186/s11671-018-2521-6Oil wettabilitySilicon dioxide surfaceSurface chargeMolecular dynamics |
| spellingShingle | Shijing Xu Jingyao Wang Jiazhong Wu Qingjie Liu Chengzhen Sun Bofeng Bai Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge Nanoscale Research Letters Oil wettability Silicon dioxide surface Surface charge Molecular dynamics |
| title | Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge |
| title_full | Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge |
| title_fullStr | Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge |
| title_full_unstemmed | Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge |
| title_short | Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge |
| title_sort | oil contact angles in a water decane silicon dioxide system effects of surface charge |
| topic | Oil wettability Silicon dioxide surface Surface charge Molecular dynamics |
| url | http://link.springer.com/article/10.1186/s11671-018-2521-6 |
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