Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study
Coal dust is a significant concern to the safety of coal mine operations. The wettability of coal can be effectively altered by adding surfactants to water. The development of high-efficiency dust suppressants is hampered by a lack of understanding of the microscopic interaction process between coal...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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SAGE Publications
2022-01-01
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| Series: | Adsorption Science & Technology |
| Online Access: | http://dx.doi.org/10.1155/2022/4249949 |
| _version_ | 1797280989888643072 |
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| author | Xuanlai Chen Guochao Yan Guang Xu Xianglin Yang Jiajun Li Xuyang Bai |
| author_facet | Xuanlai Chen Guochao Yan Guang Xu Xianglin Yang Jiajun Li Xuyang Bai |
| author_sort | Xuanlai Chen |
| collection | DOAJ |
| description | Coal dust is a significant concern to the safety of coal mine operations. The wettability of coal can be effectively altered by adding surfactants to water. The development of high-efficiency dust suppressants is hampered by a lack of understanding of the microscopic interaction process between coal dust and surfactants. In this investigation, the influence of the branched structure of the polyoxyethylene unit in nonionic surfactants on the wettability of anthracite surfaces was evaluated by combining the modeling study and experimental research. The macromolecular model of Jincheng anthracite with 55 different components (C7730H3916O133N123S25) was constructed. Lauryl polyoxyethylene ether C12(EO)20 and Tween 20 were selected. The simulation results showed that due to the branched structure of polyoxyethylene, the surface of anthracite after adsorption by Tween 20 is more hydrophilic. Further analysis found that the adsorption configuration of Tween 20 is that the hydrophilic head group covers the hydrophobic tail chain, while the adsorption configuration of C12(EO)20 is that the hydrophobic tail chain covers the hydrophilic head group. The network structure formed by Tween 20 is relatively loose, and the surface is rougher. The network structure formed by C12(EO)20 is denser. Water molecules have a higher aggregation degree near Tween 20 and stronger permeability, and more hydrogen bonds are formed. The existence state of carbon and oxygen elements on the surface of modified coal was analyzed by XPS experiment, which confirmed the adsorption structure obtained by molecular simulation. |
| first_indexed | 2024-03-07T16:48:09Z |
| format | Article |
| id | doaj.art-5ff645dd75fa4d55be98fba4ab03ea3b |
| institution | Directory Open Access Journal |
| issn | 2048-4038 |
| language | English |
| last_indexed | 2024-03-07T16:48:09Z |
| publishDate | 2022-01-01 |
| publisher | SAGE Publications |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj.art-5ff645dd75fa4d55be98fba4ab03ea3b2024-03-03T05:58:37ZengSAGE PublicationsAdsorption Science & Technology2048-40382022-01-01202210.1155/2022/4249949Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental StudyXuanlai Chen0Guochao Yan1Guang Xu2Xianglin Yang3Jiajun Li4Xuyang Bai5School of Mining EngineeringSchool of Mining EngineeringDepartment of Mining EngineeringHunan Provincial Key Laboratory of Fine Ceramics and Powder MaterialsSchool of Mining EngineeringSchool of Mining EngineeringCoal dust is a significant concern to the safety of coal mine operations. The wettability of coal can be effectively altered by adding surfactants to water. The development of high-efficiency dust suppressants is hampered by a lack of understanding of the microscopic interaction process between coal dust and surfactants. In this investigation, the influence of the branched structure of the polyoxyethylene unit in nonionic surfactants on the wettability of anthracite surfaces was evaluated by combining the modeling study and experimental research. The macromolecular model of Jincheng anthracite with 55 different components (C7730H3916O133N123S25) was constructed. Lauryl polyoxyethylene ether C12(EO)20 and Tween 20 were selected. The simulation results showed that due to the branched structure of polyoxyethylene, the surface of anthracite after adsorption by Tween 20 is more hydrophilic. Further analysis found that the adsorption configuration of Tween 20 is that the hydrophilic head group covers the hydrophobic tail chain, while the adsorption configuration of C12(EO)20 is that the hydrophobic tail chain covers the hydrophilic head group. The network structure formed by Tween 20 is relatively loose, and the surface is rougher. The network structure formed by C12(EO)20 is denser. Water molecules have a higher aggregation degree near Tween 20 and stronger permeability, and more hydrogen bonds are formed. The existence state of carbon and oxygen elements on the surface of modified coal was analyzed by XPS experiment, which confirmed the adsorption structure obtained by molecular simulation.http://dx.doi.org/10.1155/2022/4249949 |
| spellingShingle | Xuanlai Chen Guochao Yan Guang Xu Xianglin Yang Jiajun Li Xuyang Bai Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study Adsorption Science & Technology |
| title | Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study |
| title_full | Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study |
| title_fullStr | Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study |
| title_full_unstemmed | Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study |
| title_short | Influence of the Branched Structure of Polyoxyethylene Units in Nonionic Surfactants on the Wettability of Anthracite: A Combined Modeling and Experimental Study |
| title_sort | influence of the branched structure of polyoxyethylene units in nonionic surfactants on the wettability of anthracite a combined modeling and experimental study |
| url | http://dx.doi.org/10.1155/2022/4249949 |
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