Recent development in computational science : Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan
巻
2
ページ
69 - 77
発行年
2011-10-01
ISSN
2223-0785
出版者
Kanazawa e-Publishing
抄録
We studied the temperature effect on the dynamics of spherical micelle dimer in wa-ter solvent by using molecular dynamics (MD) simulation. For this purpose, we carried out the MD simulations of 8-8 spherical POPC micelle dimer in 11,326 TIP3P water molecules under the constant NPT condition for 10 ns and continued the MD simulation under the constant NVT condition for 10 ns. We ran the MD simulations of this system at two different temperatures, 340 K and 370 K. The dynamical behavior of the micelle was analyzed by calculating ASIC parameters. We found that the effects of temperature on stuctures and dynamics of micelle were different for the constant NPT and NVT condition.
Temperature Effects on Dynamics of Spherical Micelles : A Molecular Dynamics Study
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ISCS2011Proceedings-69-77.pdf
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