The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle, surface free energy, AFM and molecular dynamics simulation

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	The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle, surface free energy, AFM and molecular dynamics simulation
	Benli, Birgul 1; Du, Hao 2; Celik, Mehmet Sabri 1
刊名	COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
	2012-08-20
卷号	408 期号:August 页码:22-31
关键词	Sepiolite Capillary rise Contact angle Surface energy components Molecular dynamics simulation
ISSN号	0927-7757
其他题名	Colloid Surf. A-Physicochem. Eng. Asp.
中文摘要	In this study, the anisotropic character of natural sepiolite was revealed by a combination of techniques involving contact angle measurements, Atomic Force Microscopy (AFM), and molecular dynamics (MD) simulations. Capillary rise technique was used to determine the change in contact angle values for several wetting liquids and calculate the surface free energy and acid/base components of sepiolite. The surface heterogeneity of sepiolite for a single fiber surface corresponding to roughness parameters was calculated from the AFM images. Finally, the interactions between water molecules and sepiolite mineral surfaces were also computationally analyzed using MD simulation to understand the interfacial water structure and the configuration of water molecules at the basal surface of sepiolite. It was found that due to the absence of hydrogen bonding sites, the hydrophobic sepiolite basal plane is not in close contact with water molecules, thus leaving a 3 angstrom void space at the basal plane. (c) 2012 Elsevier B.V. All rights reserved.
英文摘要	In this study, the anisotropic character of natural sepiolite was revealed by a combination of techniques involving contact angle measurements, Atomic Force Microscopy (AFM), and molecular dynamics (MD) simulations. Capillary rise technique was used to determine the change in contact angle values for several wetting liquids and calculate the surface free energy and acid/base components of sepiolite. The surface heterogeneity of sepiolite for a single fiber surface corresponding to roughness parameters was calculated from the AFM images. Finally, the interactions between water molecules and sepiolite mineral surfaces were also computationally analyzed using MD simulation to understand the interfacial water structure and the configuration of water molecules at the basal surface of sepiolite. It was found that due to the absence of hydrogen bonding sites, the hydrophobic sepiolite basal plane is not in close contact with water molecules, thus leaving a 3 angstrom void space at the basal plane. (c) 2012 Elsevier B.V. All rights reserved.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Physical
研究领域[WOS]	Chemistry
关键词[WOS]	ATOMIC-FORCE MICROSCOPY ; THIN-LAYER WICKING ; CRYSTAL-STRUCTURES ; WATER-STRUCTURE ; CLAY-MINERALS ; THERMODYNAMIC PROPERTIES ; AQUEOUS-SOLUTIONS ; LIQUID WATER ; TALC ; SYSTEMS
收录类别	SCI
原文出处	://WOS:000313407200004
语种	英语
WOS记录号	WOS:000313407200004
公开日期	2014-09-30
内容类型	期刊论文
版本	出版稿
源URL	[http://ir.ipe.ac.cn/handle/122111/11340]
专题	过程工程研究所_研究所（批量导入）
作者单位	1.Istanbul Tech Univ, Dept Mineral Proc Engn, TR-34469 Istanbul, Turkey 2.Natl Engn Lab Hydromet Cleaner Prod Technol, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Benli, Birgul,Du, Hao,Celik, Mehmet Sabri. The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle, surface free energy, AFM and molecular dynamics simulation[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,2012,408(August):22-31.
APA	Benli, Birgul,Du, Hao,&Celik, Mehmet Sabri.(2012).The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle, surface free energy, AFM and molecular dynamics simulation.COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,408(August),22-31.
MLA	Benli, Birgul,et al."The anisotropic characteristics of natural fibrous sepiolite as revealed by contact angle, surface free energy, AFM and molecular dynamics simulation".COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 408.August(2012):22-31.