| 학회 |
한국고분자학회 |
| 학술대회 |
2004년 봄 (04/09 ~ 04/10, 고려대학교) |
| 권호 |
29권 1호, p.377 |
| 발표분야 |
고분자 구조 및 물성 |
| 제목 |
Origin of Molecular Interaction between Carbon Nanotube and Surfactant |
| 초록 |
The effects of surfactant structure on the solubilization of single wall carbon nanotubes (SWNTs) are investigated using atomistic molecular simulation. The solubilizing effects are evaluated in terms of binding energy of surfactant onto SWNT. The energy minimization calculations show that π-like stacking of ring moiety and longer alkyl chain length lead to the significant increase in the binding energy of surfactant molecules to SWNT. The results also show that it is energetically more favorable for most surfactants to lie on the tube surface parallel to the cylindrical axis than to bend around the nanotubes. In addition, we find that T-shaped surfactant consisting of hydrophobic rigid backbone and hydrophilic flexible side chain is more advantageous for solubilizing SWNT than flexible linear surfactants. |
| 저자 |
이원홍1, 양성훈1, 김건형1, 허준1, 민병길2, 조원호1
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| 소속 |
1서울대, 2금오공과대 |
| 키워드 |
simulation; carbon nanotube; interaction
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| E-Mail |
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