Moleculaolecular Dynamics Simulation Research in Water Adsorption on Aluminum Surface

摘要：

　　In this paper,molecular dynamics method was used in researching the adsorption between single crystal aluminum and water,we built a molecular dynamics model of single crystal aluminum and water,researched the adsorption state of water on the surface of single crystal metal aluminum after nanofabrication,and gained the simulation value of the surface contact angle between aluminum and water.We also studied the impact of different orientations,different surface nanostructures,and different system temperatures on the surface contact angle.The simulation results show that: for single crystal aluminum of 100 crystal plane and water,when happen adsorption,the contact angle is approximately 61.5°,the same with the measured results; and for 110 single crystal aluminum,the contact angle is approximately 70.5 °,so different arrangement of crystal orientation has affect on surface contact angle,but does not change the hydrophilic nature.When the trench depth of the aluminum crystal surface increases,the surface contact angle is gradually increasing; and when the temperature rises,the surface contact angle increases to a certain extent.

关键词： Adsorption mechanism Hydrophobic property Molecular Dynamics

作者: Y.C.Liang Q.L.Wang J.X.Chen W.K.Xie Y.Z.Sun

作者单位: Precision engineering research institute, Harbin Institute of Technology, Harbin, Heilongjiang,CHINA

会议类型: 国际会议

会议名称: 中国微米纳米技术学会第14届学术年会、第3届国际年会暨第6届微米纳米技术“创新与产业化国际研讨与展览会(CSMNT2012 & ICMAN2012)

会议地点: 杭州

会议语种:英文

页码: 1-6

在线出版日期: 2012-11-04（万方平台首次上网日期，不代表论文的发表时间）