Studies of penetrant permeation in polymer materials by molecular simulation 分子シミュレーション法による高分子材料中における低分子の透過に関する研究

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Author

    • 玉井, 良則 タマイ, ヨシノリ

Bibliographic Information

Title

Studies of penetrant permeation in polymer materials by molecular simulation

Other Title

分子シミュレーション法による高分子材料中における低分子の透過に関する研究

Author

玉井, 良則

Author(Another name)

タマイ, ヨシノリ

University

京都大学

Types of degree

博士 (工学)

Grant ID

甲第6429号

Degree year

1996-03-23

Note and Description

博士論文

本文データは平成22年度国立国会図書館の学位論文(博士)のデジタル化実施により作成された画像ファイルを基にpdf変換したものである

Table of Contents

  1. 論文目録 / (0001.jp2)
  2. Contents / p1 (0005.jp2)
  3. Chapter1 General Introduction / p1 (0007.jp2)
  4. 1.1 Background / p1 (0007.jp2)
  5. 1.2 Outline / p4 (0009.jp2)
  6. 1.3 Simulation Program / p5 (0009.jp2)
  7. Part I Permeation into Hydrophobic Membranes / p7 (0010.jp2)
  8. Chapter2 Structure of Amorphous Polymers / p9 (0011.jp2)
  9. 2.1 Introduction / p9 (0011.jp2)
  10. 2.2 Model and Simulation Details / p10 (0012.jp2)
  11. 2.3 Results and Discussion / p16 (0015.jp2)
  12. 2.4 Conclusion / p29 (0021.jp2)
  13. Chapter3 Diffusion of Small Penetrants in Polymers / p31 (0022.jp2)
  14. 3.1 Introduction / p31 (0022.jp2)
  15. 3.2 Model and Simulation Details / p32 (0023.jp2)
  16. 3.3 Results and Discussion / p34 (0024.jp2)
  17. 3.4 Conclusion / p51 (0032.jp2)
  18. Chapter4 Solubility of Small Penetrants in Polymers / p53 (0033.jp2)
  19. 4.1 Introduction / p53 (0033.jp2)
  20. 4.2 Model and Simulation Details / p55 (0034.jp2)
  21. 4.3 Results and Discussion / p60 (0037.jp2)
  22. 4.4 Conclusion / p81 (0047.jp2)
  23. Part II Permeation into Hydrophilic Membranes / p83 (0048.jp2)
  24. Chapter5 Hydrogen-bonded Structure in Hydrogels / p85 (0049.jp2)
  25. 5.1 Introduction / p85 (0049.jp2)
  26. 5.2 Model and Simulation Details / p86 (0050.jp2)
  27. 5.3 Results and Discussion / p91 (0052.jp2)
  28. 5.4 Conclusion / p114 (0064.jp2)
  29. Chapter6 Dynamical Properties of Hydrogels / p117 (0065.jp2)
  30. 6.1 Introduction / p117 (0065.jp2)
  31. 6.2 Model and Simulation Details / p118 (0066.jp2)
  32. 6.3 Results and Discussion / p118 (0066.jp2)
  33. 6.4 Conclusion / p131 (0072.jp2)
  34. Chapter7 General Conclusion / p133 (0073.jp2)
  35. Appendix A Potential Functions and Parameters / p137 (0075.jp2)
  36. Appendix B Calculation of Long-range Forces / p153 (0083.jp2)
  37. Appendix C Modified Self-avoiding Random Walk / p159 (0086.jp2)
  38. Appendix D NPT Ensemble Combined with SHAKE / p163 (0088.jp2)
  39. Appendix E Available Analysis by PAMPS / p167 (0090.jp2)
  40. References / p169 (0091.jp2)
  41. List of Publications / p176 (0095.jp2)
  42. Acknowledgments / p178 (0096.jp2)
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Codes

  • NII Article ID (NAID)
    500000131153
  • NII Author ID (NRID)
    • 8000000965845
  • DOI(NDL)
  • Text Lang
    • eng
  • NDLBibID
    • 000000295467
  • Source
    • Institutional Repository
    • NDL ONLINE
    • NDL Digital Collections

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