位置:成果数据库 > 期刊 > 期刊详情页
Molecular dynamics simulation of wetting behavior at CO2/water/solid interfaces
  • ISSN号:1001-6538
  • 期刊名称:科学通报(英文版)
  • 时间:0
  • 页码:2252-2257
  • 语言:中文
  • 分类:O484[理学—固体物理;理学—物理] TG111.4[金属学及工艺—物理冶金;金属学及工艺—金属学]
  • 作者机构:[1]State Key Laboratory of Material-Orientated Chemical Engineering, Nanjing University of Technology, Nanjing 210009, China, [2]School of Mechanical and Power Engineering, Nanjing University of Technology, Nanjing 210009, China
  • 相关基金:This work was supported by the National Natural Science Foundation of China (20776066, 20976079), and the Natural Science Foundation of Jiangsu Province (BK2009359).
  • 相关项目:受限空间中表面活性剂/超临界CO2体系结构自组微介观行为的计算机模拟
中文摘要:

我们使用了分子的动力学模拟第一次表明二稳固的模型表面的显微镜的弄湿行为。吸水、恐水病的特征在各种各样的密度下面在稠密的 CO2 液体环境被建模。水微滴在对恐水病的表面的更高的密度 CO2 液体的影响下面与表面失去接触。为吸水的表面,在水微滴和表面之间的分离都没被观察。然而,吸水的表面上的水微滴的接触角度被发现与液体密度增加。表面 wettability 上的稠密的 CO2 液体的效果能从包围 CO2 分子以提高的相互作用被解释。

英文摘要:

We used molecular dynamics simulation to demonstrate the microscopic wetting behavior of two solid model surfaces for the first time. Hydrophilic and hydrophobic features were modeled in a dense CO2 fluid environment under various densities. The water droplet loses contact with the surface under the influence of higher density CO2 fluids on the hydrophobic surface. For the hydrophilic surface, no separation between the water droplet and the surface was observed. However, the contact angle of the water droplet on the hydrophilic surface was found to increase with the fluid density. The effect of dense CO2 fluid on the surface wettability can be interpreted in terms of enhanced interactions from the surrounding CO2 molecules.

同期刊论文项目
同项目期刊论文