Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions
碩士 === 國立中正大學 === 化學工程研究所 === 93 === Coarse-grained molecular dynamics simulation, which has been developed consistently from atomistic molecular dynamics simulation and retains the information of chemical structure, is utilized to investigate the aggregation properties of conjugated polymer solutio...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2005
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| Online Access: | http://ndltd.ncl.edu.tw/handle/09502101302967051096 |
| Summary: | 碩士 === 國立中正大學 === 化學工程研究所 === 93 === Coarse-grained molecular dynamics simulation, which has been developed consistently from atomistic molecular dynamics simulation and retains the information of chemical structure, is utilized to investigate the aggregation properties of conjugated polymer solutions. Essential single-chain structural parameters including self-diffusivity, radius of gyration, and persistent length are reported. Representative aggregation realizations in two distinct solvent are contrasted and discussed in view of related experimental findings.
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