Studying interactions between undecane and graphite surfaces by chemical force microscopy and molecular dynamics simulations

被引:61
|
作者
Xia, Yangchao [1 ,2 ]
Xing, Yaowen [1 ]
Li, Ming [1 ,2 ]
Liu, Min [1 ,2 ]
Tan, Jinliong [3 ]
Cao, Yijun [1 ]
Gui, Xiahui [1 ]
机构
[1] China Univ Min & Technol, Chinese Natl Engn Res Ctr Coal Preparat & Purific, Xuzhou 221116, Jiangsu, Peoples R China
[2] China Univ Min & Technol, Sch Chem Engn & Technol, Xuzhou 221116, Jiangsu, Peoples R China
[3] China Univ Min & Technol Beijing, Sch Chem & Environm Engn, Beijing 100083, Peoples R China
基金
中国博士后科学基金; 国家重点研发计划;
关键词
Hydrophobic interaction; Chemical force microscopy; Molecular dynamics simulations; Extended DLVO theory; Mineral flotation; LOW-RANK COAL; BUBBLE-PARTICLE ATTACHMENT; HYDROPHOBIC INTERACTION; MICA SUBSTRATE; FLOTATION; ADHESION; OIL; ADSORPTION; COLLECTORS; MECHANISM;
D O I
10.1016/j.fuel.2020.117367
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
Collectors are often used to increase the hydrophobicity of valuable minerals during flotation. Hence, it is necessary to know the forces between them, especially the hydrophobic force, which closely associated with hydrophobic minerals floating, such as graphite, coal, and molybdenite. In the present study, graphite sheets were used as the hydrophobic mineral, and the force characteristics and interfacial adsorption structures of undecane (a model collector) on graphite surface with different hydrophobicities were investigated by chemical force microscopy and molecular dynamics simulations. Undecane experiences repulsive interactions as it approaches hydrophilic graphite; however, an obvious jump-in phenomenon driven by hydrophobic force was observed for hydrophobic graphite, which triggers their adhesion. Derjaguin-Landau-Verwey-Overbeek (DLVO) and extended DLVO fitting reveal that the hydrophobic force decays at 1.35 nm in a single-exponential manner. The adhesion force during retraction increases with increasing surface hydrophobicity. The hydrophilic surface adsorbs a large amount of water to form a dense and ordered hydration film that interferes with the adsorption of undecane, while a water-depletion layer exists on the hydrophobic surface with closely adsorbed undecane molecules. This study improves our understanding of the action mechanism of flotation collectors for hydrophobic minerals.
引用
收藏
页数:8
相关论文
共 50 条
  • [21] Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations
    Zhang, Bing
    Yang, Jie-qin
    Liu, Ying
    Hu, Bin
    Yang, Yang
    Zhao, Li
    Lu, Qiang
    CELLULOSE, 2022, 29 (12) : 6565 - 6578
  • [22] Investigation on the interactions between glucomannans and bifidobacterium protein by using molecular dynamics simulations
    Jensupakarn, Napassorn
    Chotpatiwetchkul, Warot
    Gleeson, Duangkamol
    Boonyarattanakalin, Kanokthip
    MATERIALS TODAY-PROCEEDINGS, 2018, 5 (05) : 11089 - 11094
  • [23] Analysis of interactions between luciferase and Si substrates using molecular dynamics simulations
    Nishiyama, K
    Watanabe, T
    Hoshino, T
    Ohdomari, I
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2006, 45 (2A): : 1021 - 1025
  • [24] Chemical force microscopy study of adhesion and friction between surfaces functionalized with self-assembled monolayers and immersed in solvents
    Clear, SC
    Nealey, PF
    JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1999, 213 (01) : 238 - 250
  • [25] Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates
    Zhang, Shitao
    Lv, Shuai
    Fu, Xueqi
    Han, Lu
    Han, Weiwei
    Li, Wannan
    MOLECULES, 2021, 26 (21):
  • [26] Interactions between the Molecular Components of the Cowpea Chlorotic Mottle Virus Investigated by Molecular Dynamics Simulations
    Chen, Jingzhi
    Lansac, Yves
    Tresset, Guillaume
    JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 122 (41): : 9490 - 9498
  • [27] Molecular dynamics simulations of a bistable chemical system
    Gorecki, J
    Kawczynski, AL
    Nowakowski, B
    POLISH JOURNAL OF CHEMISTRY, 1997, 71 (02) : 244 - 252
  • [29] Molecular dynamics simulations of β-microglobulin interaction with hydrophobic surfaces
    Foumthuim, Cedrix J. Dongmo
    Corazza, Alessandra
    Esposito, Gennaro
    Fogolari, Federico
    MOLECULAR BIOSYSTEMS, 2017, 13 (12) : 2625 - 2637
  • [30] Molecular dynamics simulations of the interactions between TiO2 nanoparticles and water with Na+ and Cl-, methanol, and formic acid using a reactive force field
    Kim, Sung-Yup
    van Duin, Adri C. T.
    Kubicki, James D.
    JOURNAL OF MATERIALS RESEARCH, 2013, 28 (03) : 513 - 520