Monte Carlo simulation of fast electron and proton tracks in liquid water - I. Physical and physicochemical aspects

Radiation Physics and Chemistry

Volumn 51, Issue 3, 1998, Pages 229-243

  Cobut, V ^a,b   Frongillo, Y ^a   Patau, J P ^c   Goulet, T ^a   Fraser, M J ^a   Jay Gerin, J P ^a  

^a UNIVERSITY OF SHERBROOKE   (Canada)

^b UNIVERSITÉ DE CERGY PONTOISE   (France)

^c UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON IRRADIATION; ENERGY TRANSFER; ION BOMBARDMENT; IONIZATION OF LIQUIDS; MONTE CARLO METHODS; RADIATION CHEMISTRY; RADIATION EFFECTS; RELAXATION PROCESSES; ULTRAFAST PHENOMENA; WATER;

ENERGY DEPOSITION; RADIATION TRACKS; RADIOLYSIS;

IONIZING RADIATION;

PROTON; WATER;

ARTICLE; ELECTRON; ELECTRON TRANSPORT; IONIZING RADIATION; LINEAR ENERGY TRANSFER; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; RADIATION PHYSICS; SYSTEM ANALYSIS;

EID: 0032030195     PISSN: 0969806X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0969-806X(97)00096-0     Document Type: Note

References (94)

1. Allison, W. W. M. and Cobb, J. H. (1980) Relativistic charged particle identification by energy loss. Annual Review of Nuclear and Particle Science 30, 253.
2. Bader, G., Perluzzo, G., Caron, L. G. and Sanche, L. (1982) Elastic and inelastic mean-free-path determination in solid xenon from electron transmission experiments. Physical Review B 26, 6019.
3. Bednář, J. (1990) Theoretical Foundations of Radiation Chemistry, p. 119. Kluwer Academic, Dordrecht, The Netherlands.
4. Bethe, H. A. and Ashkin, J. (1953) Passage of radiations through matter. In Experimental Nuclear Physics (Edited by E. Segrè), Vol. 1, Part II, p. 166. Wiley, New York.
5. Bichsel, H. (1988) Straggling in thin silicon detectors. Reviews of Modern Physics 60, 663.
6. Bichsel, H. (1993) Atomic interactions of charged particles with matter. Journal de Chimie Physique 90, 617.
7. Bigildeev, E. A. and Michalik, V. (1996) Charged particle tracks in water of different phases. Monte Carlo simulation of electron tracks. Radiation Physics and Chemistry 47, 197.
8. 2+ solutions. Radiation Research 45, 261.
9. Brenner, D. J. and Zaider, M. (1983) A computationally convenient parameterisation of experimental angular distributions of low energy electrons elastically scattered off water vapour. Physics in Medicine and Biology 29, 443.
10. Burns, W. G., May, R., Buxton, G. V. and Tough, G. S. (1977) Yield and decay of the hydrated electron in proton tracks. Faraday Discussions of the Chemical Society 63, 47.
11. -) in aqueous solution. Journal of Physical and Chemical Reference Data 17, 513.
12. Chandrasekhar, S. (1943) Stochastic problems in physics and astronomy. Reviews of Modern Physics 15, 1.
13. 2O. Journal of Chemical Physics 54, 3799.
14. Cobut, V., Frongillo, Y., Jay-Gerin, J. -P. and Patau, J. P. (1992) A Monte Carlo calculation of subexcitation and vibrationally-relaxing electron spectra in irradiated liquid water. Radiation Physics and Chemistry 40, 589.
15. -12 s. Journal de Chimie Physique 90, 671.
16. Cobut, V., Frongillo, Y., Jay-Gerin, J. -P. and Patau, J. P. (1994) Calculs des rendements des produits de la radiolyse de l'eau en fonction du temps par une méthode Monte Carlo. Journal de Chimie Physique 91, 1018.
17. Cobut, V., Jay-Gerin, J. -P., Frongillo, Y. and Patau, J. P. (1996) On the dissociative electron attachment as a potential source of molecular hydrogen in irradiated liquid water. Radiation Physics and Chemistry 47, 247.
18. Curtis, M. G. and Walker, I. C. (1992) Dissociative electron attachment in water and methanol (5-14 eV). Journal of the Chemical Society, Faraday Transactions 88, 2805.
19. 2O molecule. Journal of the Physical Society of Japan 54, 1224.
20. 2O. Journal of Chemical Physics 76, 1043.
21. Dutuit, O., Tabche-Fouhaile, A., Nenner, L., Frohlich, H. and Guyon, P. M. (1985) Photodissociation processes of water vapor below and above the ionization potential. Journal of Chemical Physics 83, 584.
22. 2O irradiated with low linear energy transfer radiation. Journal of the Chemical Society, Faraday Transactions 89, 1193.
23. Fanning, J. E. Jr, Trumbore, C. N., Barkley, P. G., Short, D. R. and Olson, J. H. (1977) Preliminary report of a spur model including spur overlap. Journal of Physical Chemistry 81, 1026.
24. Farhataziz and Rodgers, M. A. J. (1987) Radiation Chemistry. Principles and Applications. VCH, New York.
25. Frongillo, Y., Fraser, M. -J., Cobut, V., Goulet, T., Jay-Gerin, J. -P. and Patau, J. P. (1996) Évolution des espèces produites par le ralentissement de protons rapides dans l'eau liquide: simulation fondée sur l'approximation des temps de réaction indépendants. Journal de Chimie Physique 93, 93.
26. Frongillo, Y., Goulet, T., Fraser, M. -J., Cobut, V., Patau, J. P. and Jay-Gerin, J. -P. (1998a) Monte Carlo simulation of fast electron and proton tracks in liquid water. II. Nonhomogeneous chemistry. Radiation Physics and Chemistry (in press).
27. 2 radicals in the radiolysis of water (In preparation).
28. Fujisawa, J. and Sato, S. (1988) Comparison between cobalt-60 gamma and tritium beta in the degradation spectrum of electrons and heterogeneous energy deposition in water. Radiation Physics and Chemistry 32, 215.
29. Goulet, T. and Jay-Gerin, J. -P. (1988) Thermalization distances and times for subexcitation electrons in solid water. Journal of Physical Chemistry 92, 6871.
30. Goulet, T., Patau, J. P. and Jay-Gerin, J. -P. (1990) Influence of the parent cation on the thermalization of subexcitation electrons in solid water. Journal of Physical Chemistry 94, 7312.
31. Goulet, T., Jay-Gerin, J. -P., Frongillo, Y., Cobut, V. and Fraser, M. -J. (1996) Rôle des distances de thermalisation des électrons dans la radiolyse de l'eau liquide. Journal Chimie de Physique 93, 111.
32. Grand, D., Bernas, A. and Amouyal, E. (1979) Photoionization of aqueous indole; conduction band edge and energy gap in liquid water. Chemical Physics 44, 73.
33. Gryziński, M. (1965) Two-particle collisions. I. General relations for collisions in the laboratory system. Physical Review 138, A305.
34. Hamm, R. N., Turner, J. E., Ritchie, R. H. and Wright, H. A. (1985) Calculation of heavy-ion tracks in liquid water. Radiation Research 104, S-20.
35. Hart, E. J. (1955) Radiation chemistry of aqueous ferrous sulfate-cupric sulfate solutions. Effect of γ-rays. Radiation Research 2, 33.
36. Heller, J. M. Jr, Hamm, R. N., Birkhoff, R. D. and Painter, L. R. (1974) Collective oscillation in liquid water. Journal of Chemical Physics 60, 3483.
37. Hill, M. A. and Smith, F. A. (1994) Calculation of initial and primary yields in the radiolysis of water. Radiation Physics and Chemistry 43, 265.
38. ICRU (1979) Average Energy Required to Produce an Ion Pair. ICRU Report 31. International Commission on Radiation Units and Measurements, Washington, D.C.
39. ICRU (1984) Stopping Powers for Electrons and Positrons. ICRU Report 37. International Commission on Radiation Units and Measurements, Bethesda, Maryland.
40. ICRU (1993) Stopping Powers and Ranges for Protons and Alpha Particles. ICRU Report 49. International Commission on Radiation Units and Measurements, Bethesda, Maryland.
41. Inokuti, M. (1971) Inelastic collisions of fast charged particles with atoms and molecules - the Bethe theory revisited. Reviews of Modern Physics 43, 297.
42. Janni, J. F. (1982) Proton range-energy tables, 1 keV-10 GeV. Energy loss, range, path length, time-of-flight, straggling, multiple scattering, and nuclear interaction probability. Part 1. For 63 compounds. Atomic Data and Nuclear Data Tables 27, 147.
43. Kaplan, I. G. and Sukhonosov, V. Ya. (1991) Simulation of the passage of fast electrons and the early stage of water radiolysis by the Monte Carlo method. Radiation Research 127, 1.
44. Katase, A., Ishibashi, K., Matsumoto, Y., Sakae, T., Maezono, S., Murakami, E., Watanabe, K. and Maki, H. (1986) Elastic scattering of electrons by water molecules over the range 100-1000 eV. Journal of Physics B 19, 2715.
45. Kimmel, G. A., Orlando, T. M., Vézina, C. and Sanche, L. (1994) Low-energy electron-stimulated production of molecular hydrogen from amorphous water ice. Journal of Chemical Physics 101, 3282.
46. Knuth, D. E. (1981) The Art of Computer Programming, Vol. 2. Addison-Wesley, Reading, Massachusetts.
47. Kowari, K. and Sato, S. (1978) The spatial distribution of secondary electrons produced in the γ-radiolysis of water. Bulletin of the Chemical Society of Japan 51, 741.
48. Kuppermann, A. (1967) Diffusion model of the radiation chemistry of aqueous solutions. In Radiation Research (Edited by G. Silini), p. 212. North-Holland, Amsterdam.
49. Kutcher, G. J. and Green, A. E. S. (1976) A model for energy deposition in liquid water. Radiation Research 67, 408.
50. LaVerne, J. A. and Pimblott, S. M. (1991) Scavenger and time dependences of radicals and molecular products in the electron radiolysis of water: Examination of experiments and models. Journal of Physical and Chemistry 95, 3196.
51. Long, F. H., Lu, H. and Eisenthal, K. B. (1990) Femtosecond studies of the presolvated electron: an excited state of the solvated electron? Physical Review Letters 64, 1469.
52. Magee, J. L. and Chatterjee, A. (1987) Theoretical aspects of radiation chemistry. In Radiation Chemistry. Principles and Applications (Edited by Farhataziz and M. A. J. Rodgers), Chap. 5, p. 137. VCH, New York.
53. Malbert, M., Carel, C., Patau, J. P. and Terrissol, M. (1981) Transport des protons de basse énergie et de leurs électrons secondaires dans l'eau. In Seventh Symposium on Microdosimetry (Edited by J. Booz, H. G. Ebert and H. D. Hartfiel), p. 359. Harwood Academic, London.
54. - in water. Journal of the American Chemical Society 93, 6757.
55. 2O. Journal of Chemical Physics 57, 4218.
56. 2O. Physics Review A 36, 4684.
57. Michaud, M., Cloutier, P. and Sanche, L. (1991) Low-energy electron-energy-loss spectroscopy of amorphous ice: electronic excitations. Physical Review A 44, 5624.
58. Migus, A., Gauduel, Y., Martin, J. L. and Antonetti, A. (1987) Excess electrons in liquid water: first evidence of a prehydrated state with femtosecond lifetime. Physical Review Letters 58, 1559.
59. Mozumder, A. (1988) Conjecture on electron trapping in liquid water. Radiation Physics and Chemistry 32, 287.
60. Mozumder, A. and Magee, J. L. (1966) Model of tracks of ionizing radiations for radical reaction mechanisms. Radiation Research 28, 203.
61. Mozumder, A. and Magee, J. L. (1975) The early events of radiation chemistry. International Journal for Radiation Physics and Chemistry 7, 83.
62. Ogura, H. and Hamill, W. H. (1973) Positive hole migration in pulse-irradiated water and heavy water. Journal of Physical Chemistry 77, 2952.
63. Ohno, S., Nagayama, H., Okazaki, K. and Sato, S. (1975) The calculation of the primary radiolysis yield of water vapor irradiated by 10-keV electrons. Bulletin of the Chemical Society of Japan 48, 2153.
64. Paretzke, H. G. (1987) Radiation track structure theory. In Kinetics of Nonhomogeneous Processes (Edited by G. R. Freeman), Chap. 3, p. 89. Wiley, New York.
65. Paretzke, H. G., Turner, J. E., Hamm, R. N., Ritchie, R. H. and Wright, H. A. (1991) Spatial distributions of inelastic events produced by electrons in gaseous and liquid water. Radiation Research 127, 121.
66. Paretzke, H. G., Goodhead, D. T., Kaplan, I. G. and Terrissol, M. (1995) Track structure quantities. In Atomic and Molecular Data for Radiotherapy and Radiation Research, IAEA-TECDOC-799, Chap. 9, p. 633. IAEA, Vienna, Austria.
67. Pimblott, S. M., Alexander, C., Green, N. J. B. and Burns, W. G. (1992) Effects of spur overlap in radiation chemistry: Reaction in two nearby spurs. Journal of the Chemical Society, Faraday Transactions 88, 925.
68. Platzman, R. L. (1962) Dissociative attachment of subexcitation electrons in liquid water, and the origin of radiolytic "molecular" hydrogen. In Abstracts of Papers, Second International Congress of Radiation Research (ICCR-2), p. 128. Harrogate, Yorkshire, England.
69. + ions with electrons. Journal of Chemical Physics 88, 845.
70. 2O. Journal of Chemical Physics 94, 8570.
71. Rudd, M. E. (1990) Cross sections for production of secondary electrons by charged particles. Radiation Protection Dosimetry 31, 17.
72. Schwarz, H. A. (1969) Applications of the spur diffusion model to the radiation chemistry of aqueous solutions. Journal of Physical Chemistry 73, 1928.
73. Schwarz, H. A. (1992) Reaction of the hydrated electron with water. Journal of Physical Chemistry 96, 8937.
74. Short, D. R., Trumbore, C. N. and Olson, J. H. (1981) Extension of a spur overlap model for the radiolysis of water to include high linear energy transfer regions. Journal of Physical Chemistry 85, 2328.
75. Siegbahn, H., Asplund, L. and Kelfve, P. (1975) The Auger electron spectrum of water vapour. Chemical Physics Letters 35, 330.
76. 4. Journal of Chemical Physics 77, 2432.
77. Spinks, J. W. T. and Woods, R. J. (1990) An Introduction to Radiation Chemistry, 3rd edn. Wiley, New York.
78. 2 Ar, and He. Journal of Chemical Physics 62, 4000.
79. 2O. Chemical Physics 29, 299.
80. Taube, H. (1957) Photochemical reactions of ozone in solution. Transactions of the Faraday Society 53, 656.
81. Terrissol, M. and Patau, J. P. (1981) Simulation complète des trajectoires d'électrons de 30 keV dans l'eau à l'état liquide. In Seventh Symposium on Microdosimetry (Edited by J. Booz, H. G. Ebert, and H. D. Hartfiel), p. 411. Harwood Academic, London.
82. Terrissol, M. and Beaudré, A. (1990) Simulation of space and time evolution of radiolytic species induced by electrons in water. Radiation Protection Dosimetry 31, 175.
83. Turner, J. E., Magee, J. L., Wright, H. A., Chatterjee, A., Hamm, R. N. and Ritchie, R. H. (1983) Physical and chemical development of electron tracks in liquid water. Radiation Research 96, 437.
84. Uehara, S., Nikjoo, H. and Goodhead, D. T. (1992) Cross-sections for water vapour for the Monte Carlo electron track structure code from 10 eV to the MeV region. Physics in Medicine and Biology 37, 1841.
85. Varma, M. N. and Chatterjee, A. (Eds.) (1994) Computational Approaches in Molecular Radiation Biology. Monte Carlo Methods. Plenum, New York.
86. Vriens, L. (1966a) Binary-encounter electron-atom collision theory. Physical Review 141, 88.
87. Vriens, L. (1966b) Electron exchange in binary encounter collision theory. Proceedings of the Physical Society 89, 13.
88. Walters, D. L. and Bhalla, C. P. (1971) Nonrelativistic Auger rates, X-ray rates, and fluorescence yields for the K shell. Physical Review A 3, 1919.
89. Watt, D. E. (1989) Track structure data for ionizing radiations in liquid water. Part 1: Electrons and photons. University Report, BIOPHYS/10/89, St. Andrews, Scotland.
90. Wilson, W. E., Miller, J. H. and Nikjoo, H. (1994) PITS: A code set for positive ion track structure. In Computational Approaches in Molecular Radiation Biology. Monte Carlo Methods (Edited by M. N. Varma and A. Chatterjee), p. 137. Plenum, New York.
91. Wolff, P. A. (1953) Theory of plasma waves in metals. Physical Review 92, 18.
92. Yamaguchi, H. (1989) A spur diffusion model applied to estimate yields of species in water irradiated by monoenergetic photons of 50 eV-2 MeV. Radiation Physics and Chemistry 34, 801.
93. Zaider, M., Brenner, D. J. and Wilson, W. E. (1983) The applications of track calculations to radiobiology. I. Monte Carlo simulation of proton tracks. Radiation Research 95, 231.
94. Zaider, M. and Brenner, D. J. (1984) On the stochastic treatment of fast chemical reactions. Radiation Research 100, 245.