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...
Main Authors: | , |
---|---|
Other Authors: | |
Format: | Others |
Language: | zh-TW |
Published: |
2005
|
Online Access: | http://ndltd.ncl.edu.tw/handle/09502101302967051096 |
id |
ndltd-TW-093CCU00063041 |
---|---|
record_format |
oai_dc |
spelling |
ndltd-TW-093CCU000630412015-10-13T15:29:16Z http://ndltd.ncl.edu.tw/handle/09502101302967051096 Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions 共軛高分子溶液聚集現象之粗粒化分子動態模擬 Lee Cheng Kuang 李正光 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. Hua Chi Chung 華繼中 2005 學位論文 ; thesis 35 zh-TW |
collection |
NDLTD |
language |
zh-TW |
format |
Others
|
sources |
NDLTD |
description |
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.
|
author2 |
Hua Chi Chung |
author_facet |
Hua Chi Chung Lee Cheng Kuang 李正光 |
author |
Lee Cheng Kuang 李正光 |
spellingShingle |
Lee Cheng Kuang 李正光 Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
author_sort |
Lee Cheng Kuang |
title |
Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
title_short |
Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
title_full |
Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
title_fullStr |
Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
title_full_unstemmed |
Coarse-Grained Molecular Dynamics Simulation of the Aggregation Properties in Conjugated Polymer Solutions |
title_sort |
coarse-grained molecular dynamics simulation of the aggregation properties in conjugated polymer solutions |
publishDate |
2005 |
url |
http://ndltd.ncl.edu.tw/handle/09502101302967051096 |
work_keys_str_mv |
AT leechengkuang coarsegrainedmoleculardynamicssimulationoftheaggregationpropertiesinconjugatedpolymersolutions AT lǐzhèngguāng coarsegrainedmoleculardynamicssimulationoftheaggregationpropertiesinconjugatedpolymersolutions AT leechengkuang gòngègāofēnziróngyèjùjíxiànxiàngzhīcūlìhuàfēnzidòngtàimónǐ AT lǐzhèngguāng gòngègāofēnziróngyèjùjíxiànxiàngzhīcūlìhuàfēnzidòngtàimónǐ |
_version_ |
1717764917035008000 |