Interrelationship between water film thicknesses and contact angles and a model for CO2 adhesion
Interrelationship between water film thicknesses and contact angles and a model for CO2 adhesion
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水膜厚度和接触角之间的相互关系以及 CO2 粘附模型
DOI：
10.1080/08927022.2019.1606427
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发表时间：
2019-04
影响因子：
2.1
通讯作者：
Song Yongchen
中科院分区：
文献类型：
--
作者：
Hu Wenfeng;Chen Cong;Li Weizhong;Song Yongchen
接触角现象的热力学性质受薄液膜的影响很大。然而，目前，对CO2/盐水/矿物系统的研究仅考虑除了接触角之外的膜。在本文中，分子动力学（MD）模拟已经进行了同时调查水膜厚度和水接触角之间的相互关系。考虑两种类型的接触角，即杨氏接触角（不存在水膜）和与膜的接触角（存在稳定的膜）。结果表明，随着杨氏接触角的增大，薄膜厚度减小，薄膜与薄膜的接触角增大。还研究了CO2-矿物预接触的影响，发现在中等亲水性表面（Q3）上，当CO2液滴置于表面上方时存在水膜，然而，当CO2液滴与表面直接接触时不存在水膜。这一现象表明矿物表面的水膜具有破裂的可能性，并提出了CO2在水合矿物表面粘附的破膜机理。这些结果可能提供新的信息之间的相互作用CO2，水/盐水和矿物，以更好地了解CO2在地质封存的行为。
ABSTRACT Thermodynamics of contact angle phenomena is strongly affected by the presence of thin liquid films. However, at present, studies for CO2/brine/mineral systems only consider the films apart from contact angles. In this paper, molecular dynamics (MD) simulations have been performed to simultaneously investigate the interrelationship between water film thicknesses and water contact angles. Two types of contact angles were considered namely Young’s contact angle (no water film is present) and contact angle with film (a stable film is present). The results showed that as Young’s contact angle increased, film thickness decreased which leading to increasing of contact angle with film. The effects of CO2-mineral pre-contact have also been investigated and it has been found that on mediate hydrophilic surfaces (Q3), water films were present when CO2 droplets were placed above the surfaces, however, water films were absent when CO2 droplets directly contact with the surfaces. This phenomenon implies that water films on mineral surfaces have a possibility to rupture and a film rupture mechanism for CO2 adhesion on hydrated mineral surfaces was proposed. These results may provide new information on interactions among CO2, water/brine and mineral to better understand the behaviour of CO2 during geologic sequestration.
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影响因子：
9.9
作者：
Arif, Muhammad;Al-Yaseri, Ahmed Z.;Iglauer, Stefan
通讯作者：
Iglauer, Stefan
影响因子：
--
作者：
Laura M. Hamm;I. Bourg;A. Wallace;B. Rotenberg
通讯作者：
Laura M. Hamm;I. Bourg;A. Wallace;B. Rotenberg
影响因子：
5.3
作者：
M. Seyyedi;M. Sohrabi;A. Farzaneh
通讯作者：
M. Seyyedi;M. Sohrabi;A. Farzaneh
DOI：
10.1063/1.2994714
发表时间：
2008-11
期刊：
The Journal of chemical physics
影响因子：
--
作者：
A. Vishnyakov;Yangyang Shen;M. Tomassone
通讯作者：
A. Vishnyakov;Yangyang Shen;M. Tomassone
影响因子：
3.9
作者：
C. Tripp;J. Combes
通讯作者：
C. Tripp;J. Combes