http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
Molecular Dynamics Simulation of Charged Liquid/Vapour Interface
( T. Funakawa ),( W. Balachandran ) 한국액체미립화학회 2005 한국액체미립화학회 학술강연회 논문집 Vol.2005 No.-
The paper discusses the instability mechanism of charged liquid/vapour interface using 3D Molecular Dynamics (MD) simulation. The equilibrium liquid/vapour interface was created in a rectangular simulation box, in which the periodical boundary condition is applied in all directions. The surface tension, the normal pressure, the bulk viscosity, and the shear viscosity were calculated respectively in both charged and uncharged conditions in order to determine the cause of the instability. The instability mechanisms were analyzed by comparison of the charged and uncharged simulation results. Ethane molecule was chosen as a sample fluid in this study. The Electron Bubble (EB), which is known as the main charge carrier of insulating liquids, represents an ion producing the electric field in the liquid/vapor interface. The 2CLJ potential was used for the calculation of the molecular interactions. The Coulomb and the polarization potentials were used to consider the EB effects on the molecules. The separation distance between methyl sites in the ethane molecule was constrained to be constant by the Rattle Algorithm. The reduction of the surface tension was confirmed in the condition when the liquid/vapour interface was charged. The reduction phenomenon appears to be induced by the shear stress increasing in the liquid/vapour interface due to the molecular aggregation effects by the EBs in the liquid phase.