Investigation of morphological variation of membranes by using Dissipative Particle Dynamics

• Main Authors: Wei-JieJiang, 江維捷
• Other Authors: Tei-Chen Chen
• Format: Others
• Language: zh-TW
• Published: 2010
• Online Access: http://ndltd.ncl.edu.tw/handle/33999197175338552126

碩士 === 國立成功大學 === 機械工程學系碩博士班 === 98 === Dissipative Particle Dynamics is a methodology of the coarse grained simulation. We use one particle to represent a group of atoms and retain the important nature of chemistry in this methodology. In order to achieve the purpose of computation we use fewer particles to represent many atoms. In the system, mainly Conservative Force, Random Force and Dissipative Force acts on the particle. Due to this methodology can save computing time, so the scale of time and space can reach mesoscopic scale.This work mainly uses Dissipative Particle Dynamics to simulate that how the surface density of amphiphiles with single and double tails affect the morphology of membranes in different hydrophobic beads length. In order to understand the changes of architecture of amphiphiles and membranes, this work uses Orientation Order Parameters, Roughness and Degree of overlap to interpret the transformation of membranes architecture and effects of chain length. The behaviors of membranes assembled by single tail amphiphiles and single tail amphiphiles are almost in agreement with the results of experiments. But in the case of double tails amphiphiles, we cannot find the qualitative trend observed in experiments. Then we use roughness to quantify the fluctuation of membrane surface and obtain good result.