Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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Reaction Probabilities for Three-atom Rearrangement Reaction. A + B - C = A - B + C : An Idealized Classical Approach

三原子 置煥反應의 反應確率. 간단한 古典力學的 取扱

  • 김유항 (仁荷大學敎 理科大學 化學科) ;
  • 신형규 (美國 네바다 大鶴敎 化學科)
  • Published : 1975.10.30
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Abstract

An idealized linear collision model has been employed to calculate the reaction probabilities for the three-atom rearrangement reaction $A+B-C{\to}A-B+C$. Potential energy surface used is also a highly idealized one with constant values. Numerical results were obtained for the system in which the atomic masses of all three atoms are the same. Potentials were varied to see the effect of the magnitude of the opposing potential barrier on the reaction probabilities. Results obtained were compared with those obtained using different models.

直線 衝突모형을 써서 三原子 置換反應 $A+B-C{\to}A-B+C$의 反應確率을 全體 에너지의 函數로 計算하였다. 使用한 포텐셜 에너지 亦是 極히 單純한 理想的인 것이다. 세原子의 質量이 모두 같은 경우에 대하여 數値로 結果를 얻어서 더욱 더 간단한 모형을 쓴 다른 硏究者들의 結果와 比較하여 定性的으로 더 나음을 알았다.

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References

  1. J. Chem. Phys. v.4 J. Hirschfelder;H. Eyring;B. Topley
  2. J. Chem. Phys. v.29 F. T. Wall;L. A. Hiller;J. Mazur
  3. J. Chem. Phys. v.35 F. T. Wall;L. A. Hiller;J. Mazur
  4. J. Chem. Phys. v.39 F.T. Wall;R.N. Porter
  5. J. Chem. Phys. v.40 R.N. Porter;M. Karplus
  6. J. Chem. Phys. v.49 M. Karplus;R.N. Porter;R.D. Sharma
  7. J. Chem. Phys. v.43 M. Karplus;R.N. Porter;R.D. Sharma
  8. J. Chem. Phys. v.41 M. Karplus;L.M. Raff
  9. J. Chem. Phys. v.41 D.L. Bunker;N.C. Blais
  10. J. Chem. Phys. v.53 A. Tweedale;K.J. Laidler
  11. Chem. Soc. Spec. Pub(London) v.16 E.M. Mortensen;K.S. Pitzer
  12. J. Chem. Phys. v.48 E.M. Mortensen
  13. J. Chem. Phys. v.51 E.A. McGullough, Jr.;R.E. Wyatt
  14. J. Chem. Phys. v.51 R.E. Wyatt
  15. Disc. Faraday Soc. v.44 M. Karplus;K.T. Tang
  16. Disc. Faraday Soc. v.44 M.S. Child
  17. J. Chem. Phys. v.52 D.J. Truhlar;A. Kuppermann
  18. J. Chem. Phys. v.48 I. Shavitt;R.M. Stevens;F.L. Minn;M. Karplus
  19. Z. Phys. Chem. v.B12 H. Eyring;M. Ploanyi
  20. Bull. Chem. Soc. Jap. v.28 S. Sato
  21. J. Chem. Phys. v.23 no.592 S. Sato
  22. J. Chem. Phys. v.11 H.M. Hulbert;J.O Hirschfelder
  23. J. Chem. Phys. v.52 Robinson
  24. J. Chem. Phys. v.52 D.R. Dion;M.B. Milleur;J.O. Hirschfelder
  25. J. Chem. Phys. v.50 K.T. Tang;B. Kleinman;M. Karplus
  26. J. Chem. Phys. v.51 K.T. Tang;B. Kleinman
  27. J. Chem. Phys. v.53 D.J. Locker;D.J. Wilson
  28. J. Chem. Phys. v.40 R.J. Rubin
  29. Chem. Phys. Lett. v.5 H.K. Shin
  30. J. Chem. Phys. v.30 D.J. Jepsen;J.O. Hirschfelder
  31. The Theory of Rate Processes S. Glasstom;K.J. Laidler;H. Eyring