The Modeling of Adsorption of Polyvinylpyrrolidone on Silver Nanoparticles Based on xDLVO Theory and All-atom

• Main Authors: Chen, I-An, 陳奕安
• Other Authors: Tsou, Nien-Ti
• Format: Others
• Language: zh-TW
• Published: 2017
• Online Access: http://ndltd.ncl.edu.tw/handle/2w7ds3

碩士 === 國立交通大學 === 材料科學與工程學系所 === 106 === Silver nanoparticles are widely used in catalysts, bio-detectors and antibacterial fibers. Dispersant is added in synthesis of silver nanoparticles in order to prevent the aggregation. Polyvinylpyrrolidone(PVP), due to its low toxicity and high solubility in water and organic solvents, is one of the common-used dispersants in synthesis of silver nanoparticles. The ability of the dispersant to prevent the aggregation of silver nanoparticles is an important issue. In this work, we manipulate all-atom molecular dynamic simulation to simulate the adsorption of PVP with different length and amount on silver nanoparticles with diameter of 4.5 and 8 nm. We simulate the adsorption of PVP on different crystal phase of silver planes in replace of silver nanoparticles with diameter of 60 nm. We research on the shape and distribution of PVP and apply the result to extended DLVO (xDLVO) theory to investigate the force between nanoparticles. The current study is expected to provide guidance for the design of the dispersant and nanoparticles.