Inherent wettability of different rock surfaces at nanoscale: a theoretical study

Xiao Chang; Qingzhong Xue; Xiaofang Li; Jianqiang Zhang; Lei Zhu; Daliang He; Haixia Zheng; Shuangfang Lu; Zilong Liu

doi:10.1016/j.apsusc.2017.10.173

Inherent wettability of different rock surfaces at nanoscale: a theoretical study

Xiao Chang, Qingzhong Xue, Xiaofang Li, Jianqiang Zhang, Lei Zhu, Daliang He, Haixia Zheng, Shuangfang Lu, Zilong Liu

Department of Chemistry

24 Citations (Scopus)

Abstract

Investigating the inherent wettability of rock surfaces at nanoscale is of great importance in ore floatation and oil recovery field. Using molecular dynamics simulations, we systematically study the wetting behavior of water on different rock surfaces (silica, calcite, gypsum, halite and graphite) at nanoscale. It is demonstrated that the inherent rock wettability follows the order of gypsum > calcite > halite > silica > graphite. Remarkably, we also manifest that the polarity of oil molecules can affect the water contact angles on silica surface. For example, the water contact angles on silica surface in hexane, dodecane, thiophene and toluene are 58 ± 2°, 63 ± 3°, 90 ± 1°, 118 ± 1°, respectively. Furthermore, we investigate the wetting behavior of water on heterogeneous rock surfaces and find that water molecules can move from hydrophobic surface to hydrophilic surface.

Original language	English
Journal	Applied Surface Science
Volume	434
Pages (from-to)	73-81
Number of pages	9
ISSN	0169-4332
DOIs	https://doi.org/10.1016/j.apsusc.2017.10.173
Publication status	Published - 15 Mar 2018

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title = "Inherent wettability of different rock surfaces at nanoscale: a theoretical study",

abstract = "Investigating the inherent wettability of rock surfaces at nanoscale is of great importance in ore floatation and oil recovery field. Using molecular dynamics simulations, we systematically study the wetting behavior of water on different rock surfaces (silica, calcite, gypsum, halite and graphite) at nanoscale. It is demonstrated that the inherent rock wettability follows the order of gypsum > calcite > halite > silica > graphite. Remarkably, we also manifest that the polarity of oil molecules can affect the water contact angles on silica surface. For example, the water contact angles on silica surface in hexane, dodecane, thiophene and toluene are 58 ± 2°, 63 ± 3°, 90 ± 1°, 118 ± 1°, respectively. Furthermore, we investigate the wetting behavior of water on heterogeneous rock surfaces and find that water molecules can move from hydrophobic surface to hydrophilic surface.",

author = "Xiao Chang and Qingzhong Xue and Xiaofang Li and Jianqiang Zhang and Lei Zhu and Daliang He and Haixia Zheng and Shuangfang Lu and Zilong Liu",

year = "2018",

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day = "15",

doi = "10.1016/j.apsusc.2017.10.173",

language = "English",

volume = "434",

pages = "73--81",

journal = "Applied Surface Science",

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TY - JOUR

T1 - Inherent wettability of different rock surfaces at nanoscale

T2 - a theoretical study

AU - Chang, Xiao

AU - Xue, Qingzhong

AU - Li, Xiaofang

AU - Zhang, Jianqiang

AU - Zhu, Lei

AU - He, Daliang

AU - Zheng, Haixia

AU - Lu, Shuangfang

AU - Liu, Zilong

PY - 2018/3/15

Y1 - 2018/3/15

N2 - Investigating the inherent wettability of rock surfaces at nanoscale is of great importance in ore floatation and oil recovery field. Using molecular dynamics simulations, we systematically study the wetting behavior of water on different rock surfaces (silica, calcite, gypsum, halite and graphite) at nanoscale. It is demonstrated that the inherent rock wettability follows the order of gypsum > calcite > halite > silica > graphite. Remarkably, we also manifest that the polarity of oil molecules can affect the water contact angles on silica surface. For example, the water contact angles on silica surface in hexane, dodecane, thiophene and toluene are 58 ± 2°, 63 ± 3°, 90 ± 1°, 118 ± 1°, respectively. Furthermore, we investigate the wetting behavior of water on heterogeneous rock surfaces and find that water molecules can move from hydrophobic surface to hydrophilic surface.

AB - Investigating the inherent wettability of rock surfaces at nanoscale is of great importance in ore floatation and oil recovery field. Using molecular dynamics simulations, we systematically study the wetting behavior of water on different rock surfaces (silica, calcite, gypsum, halite and graphite) at nanoscale. It is demonstrated that the inherent rock wettability follows the order of gypsum > calcite > halite > silica > graphite. Remarkably, we also manifest that the polarity of oil molecules can affect the water contact angles on silica surface. For example, the water contact angles on silica surface in hexane, dodecane, thiophene and toluene are 58 ± 2°, 63 ± 3°, 90 ± 1°, 118 ± 1°, respectively. Furthermore, we investigate the wetting behavior of water on heterogeneous rock surfaces and find that water molecules can move from hydrophobic surface to hydrophilic surface.

U2 - 10.1016/j.apsusc.2017.10.173

DO - 10.1016/j.apsusc.2017.10.173

M3 - Journal article

SN - 0169-4332

VL - 434

SP - 73

EP - 81

JO - Applied Surface Science

JF - Applied Surface Science

ER -

Inherent wettability of different rock surfaces at nanoscale: a theoretical study

Abstract

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