{"title":"辉钼矿平面的各向异性:基于试剂和 H2O 吸附行为的分析","authors":"Jiamei Hao , Jian Liu , Da Li , Hulin Gao","doi":"10.1016/j.rinp.2024.107996","DOIUrl":null,"url":null,"abstract":"<div><div>Multiple planes with different properties are exposed after the comminution of molybdenite because of the anisotropy of molybdenite. Study on the properties of different planes is of great significance to enhance the comprehensive utilization of molybdenite, especially in flotation. In order to explore the properties of different planes, the two main planes of molybdenite (basal plane and edge plane) are respectively taken as the research object in this paper, and the properties of planes are expressed using DFT through the adsorption behaviors of a new reagent named DTC-CTS and water molecules. The results show that edge plane has higher activity than basal plane. This is because there are exposed molybdenum atoms on the edge plane, and the sulfur atoms in DTC-CTS and oxygen atoms in water molecules are easy to react with the exposed molybdenum atoms. While the activity of basal plane is low because of the hinderance effect of sulfur atoms in the skin layer. The different adsorption behaviors of water molecules on molybdenite planes verified the hydrophobicity of different planes. In addition, the results also show that the water can affect the DTC-CTS adsorption on edge plane. Water can enhance interaction between single-bond sulfur atom and molybdenum atom, and weaken the interaction between double-bond sulfur atom and molybdenum atom on edge plane.</div></div>","PeriodicalId":21042,"journal":{"name":"Results in Physics","volume":"65 ","pages":"Article 107996"},"PeriodicalIF":4.4000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The anisotropy of molybdenite planes: Analysis based on the adsorption behaviors of reagent and H2O\",\"authors\":\"Jiamei Hao , Jian Liu , Da Li , Hulin Gao\",\"doi\":\"10.1016/j.rinp.2024.107996\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Multiple planes with different properties are exposed after the comminution of molybdenite because of the anisotropy of molybdenite. Study on the properties of different planes is of great significance to enhance the comprehensive utilization of molybdenite, especially in flotation. In order to explore the properties of different planes, the two main planes of molybdenite (basal plane and edge plane) are respectively taken as the research object in this paper, and the properties of planes are expressed using DFT through the adsorption behaviors of a new reagent named DTC-CTS and water molecules. The results show that edge plane has higher activity than basal plane. This is because there are exposed molybdenum atoms on the edge plane, and the sulfur atoms in DTC-CTS and oxygen atoms in water molecules are easy to react with the exposed molybdenum atoms. While the activity of basal plane is low because of the hinderance effect of sulfur atoms in the skin layer. The different adsorption behaviors of water molecules on molybdenite planes verified the hydrophobicity of different planes. In addition, the results also show that the water can affect the DTC-CTS adsorption on edge plane. Water can enhance interaction between single-bond sulfur atom and molybdenum atom, and weaken the interaction between double-bond sulfur atom and molybdenum atom on edge plane.</div></div>\",\"PeriodicalId\":21042,\"journal\":{\"name\":\"Results in Physics\",\"volume\":\"65 \",\"pages\":\"Article 107996\"},\"PeriodicalIF\":4.4000,\"publicationDate\":\"2024-10-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Results in Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2211379724006818\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Physics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2211379724006818","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
The anisotropy of molybdenite planes: Analysis based on the adsorption behaviors of reagent and H2O
Multiple planes with different properties are exposed after the comminution of molybdenite because of the anisotropy of molybdenite. Study on the properties of different planes is of great significance to enhance the comprehensive utilization of molybdenite, especially in flotation. In order to explore the properties of different planes, the two main planes of molybdenite (basal plane and edge plane) are respectively taken as the research object in this paper, and the properties of planes are expressed using DFT through the adsorption behaviors of a new reagent named DTC-CTS and water molecules. The results show that edge plane has higher activity than basal plane. This is because there are exposed molybdenum atoms on the edge plane, and the sulfur atoms in DTC-CTS and oxygen atoms in water molecules are easy to react with the exposed molybdenum atoms. While the activity of basal plane is low because of the hinderance effect of sulfur atoms in the skin layer. The different adsorption behaviors of water molecules on molybdenite planes verified the hydrophobicity of different planes. In addition, the results also show that the water can affect the DTC-CTS adsorption on edge plane. Water can enhance interaction between single-bond sulfur atom and molybdenum atom, and weaken the interaction between double-bond sulfur atom and molybdenum atom on edge plane.
Results in PhysicsMATERIALS SCIENCE, MULTIDISCIPLINARYPHYSIC-PHYSICS, MULTIDISCIPLINARY
CiteScore
8.70
自引率
9.40%
发文量
754
审稿时长
50 days
期刊介绍:
Results in Physics is an open access journal offering authors the opportunity to publish in all fundamental and interdisciplinary areas of physics, materials science, and applied physics. Papers of a theoretical, computational, and experimental nature are all welcome. Results in Physics accepts papers that are scientifically sound, technically correct and provide valuable new knowledge to the physics community. Topics such as three-dimensional flow and magnetohydrodynamics are not within the scope of Results in Physics.
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