Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study
碩士 === 國立清華大學 === 化學工程學系 === 95 === In this research, molecular dynamics simulation is adopted to simulate the influence of different conformational of Poly(methylMeth acrylate). First, we simulate the glass transition temperature and radial distribution function with Poly(methylMeth acrylate) and c...
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ndltd-TW-095NTHU50630472015-10-13T16:51:14Z http://ndltd.ncl.edu.tw/handle/81282552426928526919 Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study 利用分子動力學模擬探討聚甲基丙烯酸甲酯在苯溶劑中的擴散行為 Ming-Shi Song 宋明熙 碩士 國立清華大學 化學工程學系 95 In this research, molecular dynamics simulation is adopted to simulate the influence of different conformational of Poly(methylMeth acrylate). First, we simulate the glass transition temperature and radial distribution function with Poly(methylMeth acrylate) and compare with the literature. Then, we compute a series physical property of Poly(methylMeth acrylate) to see its behaviors in microsropc. Besides, behaviors of fluids of Poly(methylMeth acrylate) such as bond-length、bond-angle、space-time correlation function、chararcteristic ratio、and apparent activation energy will be check with the literature. After checking the material, we will analysis Mean square displacement with sydiotatic and isotatic PolymethylMeth acrylate in benzene .Wish we can use the molecular dynamics simulation to solve more engineering problems. Key Word:Molecular Dynamics Simulation、Radial Distribution Function、 PolymethylMeth acrylate、Mean square displacement Rong-Yeu Chang 張榮語 2007 學位論文 ; thesis 65 zh-TW |
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碩士 === 國立清華大學 === 化學工程學系 === 95 === In this research, molecular dynamics simulation is adopted to simulate the influence of different conformational of Poly(methylMeth acrylate). First, we simulate the glass transition temperature and radial distribution function with Poly(methylMeth acrylate) and compare with the literature. Then, we compute a series physical property of Poly(methylMeth acrylate) to see its behaviors in microsropc.
Besides, behaviors of fluids of Poly(methylMeth acrylate) such as bond-length、bond-angle、space-time correlation function、chararcteristic ratio、and apparent activation energy will be check with the literature. After checking the material, we will analysis Mean square displacement with sydiotatic and isotatic PolymethylMeth acrylate in benzene .Wish we can use the molecular dynamics simulation to solve more engineering problems.
Key Word:Molecular Dynamics Simulation、Radial Distribution Function、 PolymethylMeth acrylate、Mean square displacement
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Rong-Yeu Chang |
author_facet |
Rong-Yeu Chang Ming-Shi Song 宋明熙 |
author |
Ming-Shi Song 宋明熙 |
spellingShingle |
Ming-Shi Song 宋明熙 Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
author_sort |
Ming-Shi Song |
title |
Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
title_short |
Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
title_full |
Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
title_fullStr |
Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
title_full_unstemmed |
Shap Change of Poly(methylMeth acrylate) in Benzene Solvent in Microscopic: A Molecular Dynamics Study |
title_sort |
shap change of poly(methylmeth acrylate) in benzene solvent in microscopic: a molecular dynamics study |
publishDate |
2007 |
url |
http://ndltd.ncl.edu.tw/handle/81282552426928526919 |
work_keys_str_mv |
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