Radiolysis of liquid water: An attempt to reconcile Monte-Carlo calculations with new experimental hydrated electron yield data at early times

Canadian Journal of Chemistry

Volumn 80, Issue 10, 2002, Pages 1367-1374

  Muroya, Yusa ^a,b   Meesungnoen, Jintana ^a,c   Jay Gerin, Jean Paul ^a   Filali Mouhim, Abdelali ^a   Goulet, Thomas ^a   Katsumura, Yosuke ^b   Mankhetkorn, Samlee ^c  

^a UNIVERSITY OF SHERBROOKE   (Canada)

^b UNIVERSITY OF TOKYO   (Japan)

^c BURAPHA UNIVERSITY   (Thailand)

Author keywords

eaq decay kinetics; Electron thermalization distance; Electron cation geminate recombination; Hydrated electron (eaq ); Liquid water; Radiolysis; Time dependent molecular and radical yields

Indexed keywords

COMPUTER SIMULATION; ENERGY TRANSFER; HYDRATION; MONTE CARLO METHODS; POSITIVE IONS; RADIATION; DISSOCIATION; WATER;

LIQUID WATER; HYDRATED ELECTRON YIELD; THERMALIZATION DISTANCE;

RADIOLYSIS;

HYDROGEN PEROXIDE; HYDROXIDE; WATER;

ARTICLE; CALCULATION; ELECTRON; HYDRATION; KINETICS; LINEAR ENERGY TRANSFER; LIQUID; MOLECULE; MONTE CARLO METHOD; PARAMETER; RADIATION; RADIOLYSIS; STIMULATION;

LIQUID; MONTE CARLO ANALYSIS;

MUS;

EID: 0036931279     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v02-173     Document Type: Article

References (120)

1. (a) A.O. Allen. The Radiation Chemistry of Water and Aqueous Solutions. D. Van Nostrand Co., Princeton, New Jersey. 1961;
2. (b) A.O. Allen. In Early Developments in Radiation Chemistry. Edited by J. Kroh. The Royal Society of Chemistry, Cambridge. 1989. p. 1;
3. (c) I.G. Draganić, and Z.D. Draganić. The Radiation Chemistry of Water. Academic Press, New York. 1971;
4. (d) I.G. Draganić. Radiochim. Acta, 70/71, 317 (1995);
5. (e) C.D. Jonah. Radiat. Res. 144, 141 (1995);
6. (f) J.D. Zimbrick. Radiat. Res. 158, 127 (2002).
7. C. Ferradini and J.-P. Jay-Gerin. Can. J. Chem. 77, 1542 (1999).
8. (a) A.J. Elliot, M.P. Chenier, D.C. Ouellette, and V.T. Koslowsky. J. Phys. Chem. 100, 9014 (1996);
9. (b) C. Ferradini and J.-P. Jay-Gerin. Radiat. Phys. Chem. 51, 263 (1998);
10. (c) J.A. LaVerne. Radiat. Res. 153, 487 (2000);
11. (d) N. Chitose, Y. Katsumura, M. Domae, Z. Cai, Y. Muroya, T. Murakami, and J.A. LaVerne. J. Phys. Chem. A, 105, 4902 (2001);
12. (e) Y. Katsumura. Res. Chem. Intermed. 27, 333 (2001).
13. (a) G. Wu, Y. Katsumura, Y. Muroya, X. Li, and Y. Terada. Chem. Phys. Lett. 325, 531 (2000);
14. (b) J. Cline, C.D. Jonah, D.M. Bartels, and K. Takahashi. In Proceedings of the First International Symposium on Supercritical Water-cooled Reactors, Design and Technology. Edited by Y. Katsumura. The University of Tokyo, Tokyo. 2000. p. 194;
15. (c) G. Wu, Y. Katsumura, Y. Muroya, M. Lin, and T. Morioka. J. Phys. Chem. A, 105, 4933 (2001);
16. (d) K. Takahashi, D.M. Bartels, J.A. Cline, and C.D. Jonah. Chem. Phys. Lett. 357, 358 (2002).
17. (a) J.E. Turner, J.L. Magee, H.A. Wright, A. Chatterjee, R.N. Hamm, and R.H. Ritchie. Radiat. Res. 96, 437 (1983);
18. (b) M. Zaider and D.J. Brenner. Radiat. Res. 100, 245 (1984);
19. (c) J.E. Turner, R.N. Hamm, H.A. Wright, R.H. Ritchie, J.L. Magee, A. Chatterjee, and W.E. Bolch. Radiat. Phys. Chem. 32, 503 (1988);
20. (d) N.J.B. Green, M.J. Pilling, S.M. Pimblott, and P. Clifford. J. Phys. Chem. 94, 251 (1990);
21. (e) M. Terrissol and A. Beaudré. Radiat. Prot. Dosim. 31, 175 (1990);
22. (f) I.G. Kaplan and V.Ya. Sukhonosov. Radiat. Res. 127, 1 (1991);
23. (g) A.V. Ponomarev, I.E. Makarov, and A.K. Pikaev. Khim. Vys. Énerg. 25, 311 (1991). English transl.: High Energy Chem. 25, 260 (1991);
24. (h) S.M. Pimblott, M.J. Pilling, and N.J.B. Green. Radiat. Phys. Chem. 37, 377 (1991);
25. (i) M.A. Hill and F.A. Smith. Radiat. Phys. Chem. 43, 265 (1994);
26. (j) M.G. Stabin, R.N. Hamm, J.E. Turner, and W.E. Bolch. Radiat. Prot. Dosim. 52, 255 (1994);
27. (k) M.G. Stabin. Ph.D. Thesis, University of Tennessee, Knoxville, 1996;
28. (l) H. Tomita, M. Kai, T. Kusama, and A. Ito. Radiat. Environ. Biophys. 36, 105 (1997);
29. (m) V. Michalik, M. Běgusová, and E.A. Bigildeev. Radiat. Res. 149, 224 (1998);
30. (n) V.V. Moiseenko, R.N. Hamm, A.J. Waker, and W.V. Prestwich. Int. J. Radiat. Biol. 74, 533 (1998);
31. (o) F. Ballarini, M. Biaggi, M. Merzagora, A. Ottolenghi, M. Dingfelder, W. Friedland, P. Jacob, and H.G. Paretzke. Radiat. Environ. Biophys. 39, 179 (2000);
32. (p) R. Watanabe and K. Saito. Radiat. Phys. Chem. 62, 217 (2001).
33. S.M. Pimblott and J.A. LaVerne. J. Phys. Chem. A, 101, 5828 (1997).
34. Y. Frongillo, M.-J. Fraser, V. Cobut, T. Goulet, J.-P. Jay-Gerin, and J.P. Patau. J. Chim. Phys. 93, 93 (1996).
35. V. Cobut, Y. Frongillo, J.P. Patau, T. Goulet, M.-J. Fraser, and J.-P. Jay-Gerin. Radiat. Phys. Chem. 51, 229 (1998).
36. Y. Frongillo, T. Goulet, M.-J. Fraser, V. Cobut, J.P. Patau, and J.-P. Jay-Gerin. Radiat. Phys. Chem. 51, 245 (1998).
37. T. Goulet, M.-J. Fraser, Y. Frongillo, and J.-P. Jay-Gerin. Radiat. Phys. Chem. 51, 85 (1998).
38. (a) M.-A. Hervé du Penhoat, T. Goulet, Y. Frongillo, M.-J. Fraser, Ph. Bernat, and J.-P. Jay-Gerin. J. Phys. Chem. A, 104, 11 757 (2000);
39. (b) M.-A. Hervé du Penhoat, J. Meesungnoen, T. Goulet, A. Filali-Mouhim, S. Mankhetkorn, and J.-P. Jay-Gerin. Chem. Phys. Lett. 341, 135 (2001);
40. (c) J. Meesungnoen, M. Benrahmoune, A. Filali-Mouhim, S. Mankhetkorn, and J.-P. Jay-Gerin. Radiat. Res. 155, 269 (2001);
41. (d) J. Meesungnoen, J.-P. Jay-Gerin, A. Filali-Mouhim, and S. Mankhetkorn. Chem. Phys. Lett. 335, 458 (2001); Can. J. Chem. 80, 68 (2002); Radiat. Res. (in press).
42. (d) J. Meesungnoen, J.-P. Jay-Gerin, A. Filali-Mouhim, and S. Mankhetkorn. Chem. Phys. Lett. 335, 458 (2001); Can. J. Chem. 80, 68 (2002); Radiat. Res. (in press).
43. (d) J. Meesungnoen, J.-P. Jay-Gerin, A. Filali-Mouhim, and S. Mankhetkorn. Chem. Phys. Lett. 335, 458 (2001); Can. J. Chem. 80, 68 (2002); Radiat. Res. (in press).
44. J.W.T. Spinks and R.J. Woods. An Introduction to Radiation Chemistry. 3rd Ed. Wiley, New York. 1990. p. 243.
45. (a) Y. Tabata, Y. Ito, and S. Tagawa (Editors). CRC Handbook of Radiation Chemistry. CRC Press, Boca Raton, Florida. 1991. p. 321;
46. (b) A. Hummel. Radiation Chemistry: The Chemical Effects of Ionizing Radiation and their Applications. Interfaculty Reactor Institute-Delft University of Technology, Delft. 1995. p. 7.1.
47. D.R. McCracken, K.T. Tsang, and P.J. Laughton. Aspects of the Physics and Chemistry of Water Radiolysis by Fast Neutrons and Fast Electrons in Nuclear Reactors. Report AECL-11895. Atomic Energy of Canada Ltd., Chalk River, Ontario. 1998.
48. (a) C. Ferradini and J. Pucheault. Biologie de l'Action des Rayonnements Ionisants. Masson, Paris. 1983. p. 25;
49. (b) N.V. Klassen. J. Chim. Phys. 88, 747 (1991);
50. (c) H.A. Schwarz. J. Phys. Chem. 96, 8937 (1992);
51. (d) G.V. Buxton and Q.G. Mulazzani. In Electron Transfer in Chemistry. Vol. 1. Edited by V. Balzani and M.A.J. Rodgers. Wiley-VCH, Weinheim, Germany. 2001. p. 503.
52. A.J. Elliot, M.P. Chenier, and D.C. Ouellette. J. Chem. Soc. Faraday Trans. 89, 1193 (1993).
53. (a) R.K. Wolff, M.J. Bronskill, J.E. Aldrich, and J.W. Hunt. J. Phys. Chem. 77, 1350 (1973);
54. (b) J.W. Hunt, R.K. Wolff, M.J. Bronskill, C.D. Jonah, E.J. Hart, and M.S. Matheson. J. Phys. Chem. 77, 425 (1973);
55. (c) J.W. Hunt, K.Y. Lam, and W.J. Chase. In Proceedings of the Fifth International Congress of Radiation Research, Seattle, Washington, July 14-20, 1974. Edited by O.F. Nygaard, H.I. Adler, and W.K. Sinclair. Academic, New York. 1975. p. 345;
56. (d) R.K. Wolff, J.E. Aldrich, T.L. Penner, and J.W. Hunt. J. Phys. Chem. 79, 210 (1975);
57. (e) J.W. Hunt. Adv. Radiat. Chem. 5, 185 (1976).
58. C.D. Jonah, M.S. Matheson, J.R. Miller, and E.J. Hart. J. Phys. Chem. 80, 1267 (1976). See also C.D. Jonah, E.J. Hart, and M.S. Matheson. J. Phys. Chem. 77, 1838 (1973); A.C. Chernovitz and C.D. Jonah. J. Phys. Chem. 92, 5946 (1988).
59. C.D. Jonah, M.S. Matheson, J.R. Miller, and E.J. Hart. J. Phys. Chem. 80, 1267 (1976). See also C.D. Jonah, E.J. Hart, and M.S. Matheson. J. Phys. Chem. 77, 1838 (1973); A.C. Chernovitz and C.D. Jonah. J. Phys. Chem. 92, 5946 (1988).
60. C.D. Jonah, M.S. Matheson, J.R. Miller, and E.J. Hart. J. Phys. Chem. 80, 1267 (1976). See also C.D. Jonah, E.J. Hart, and M.S. Matheson. J. Phys. Chem. 77, 1838 (1973); A.C. Chernovitz and C.D. Jonah. J. Phys. Chem. 92, 5946 (1988).
61. S.M. Pimblott, J.A. LaVerne, D.M. Bartels, and C.D. Jonah. J. Phys. Chem. 100, 9412 (1996).
62. (a) T. Sumiyoshi and M. Katayama. Chem. Lett. 1887 (1982);
63. (b) T. Sumiyoshi, K. Tsugaru, T. Yamada, and M. Katayama. Bull. Chem. Soc. Jpn. 58, 3073 (1985).
64. D.M. Bartels, A.R. Cook, M. Mudaliar, and C.D. Jonah. J. Phys. Chem. A, 104, 1686 (2000).
65. J.A. LaVerne. Radiat. Res. 153, 196 (2000).
66. D. Swiatla-Wojcik and G.V. Buxton. Res. Chem. Intermed. 27, 875 (2001).
67. (a) R.L. Platzman. Radiat. Res. 1, 558 (1954); 2, 1 (1955);
68. (a) R.L. Platzman. Radiat. Res. 1, 558 (1954); 2, 1 (1955);
69. (b) J. Weiss. Nature (London), 174, 78 (1954); J. Chim. Phys. 52, 539 (1955);
70. (b) J. Weiss. Nature (London), 174, 78 (1954); J. Chim. Phys. 52, 539 (1955);
71. (c) M. Michaud, P. Cloutier, and L. Sanche. Phys. Rev. A: At. Mol. Opt. Phys. 44, 5624 (1991).
72. A. Mozumder. Fundamentals of Radiation Chemistry. Academic, San Diego, California. 1999. p. 247.
73. P. Rowntree, L. Parenteau, and L. Sanche. J. Chem. Phys. 94, 8570 (1991). See also V. Cobut, J.-P. Jay-Gerin, Y. Frongillo, and J.P. Patau. Radiat. Phys. Chem. 47, 247 (1996).
74. P. Rowntree, L. Parenteau, and L. Sanche. J. Chem. Phys. 94, 8570 (1991). See also V. Cobut, J.-P. Jay-Gerin, Y. Frongillo, and J.P. Patau. Radiat. Phys. Chem. 47, 247 (1996).
75. (a) A. Migus, Y. Gauduel, J.L. Martin, and A. Antonetti. Phys. Rev. Lett. 58, 1559 (1987);
76. (b) F.H. Long, H. Lu, and K.B. Eisenthal. Phys. Rev. Lett. 64, 1469 (1990);
77. (c) X. Shi, F.H. Long, H. Lu, and K.B. Eisenthal. J. Phys. Chem. 100, 11 903 (1996);
78. (d) A. Reuther, A. Laubereau, and D.N. Nikogosyan. J. Phys. Chem. 100, 16 794 (1996);
79. (e) A. Bernas, C. Ferradini, and J.-P. Jay-Gerin. Can. J. Chem. 74, 1 (1996) and refs. therein;
80. (f) C. Pépin, T. Goulet, D. Houde, and J.-P. Jay-Gerin. J. Phys. Chem. A, 101, 4351 (1997);
81. (g) J.-P. Jay-Gerin. Can. J. Chem. 75, 1310 (1997);
82. (h) R. Laenen, T. Roth, and A. Laubereau. Phys. Rev. Lett. 85, 50 (2000). See also A. Mozumder. Radiat. Phys. Chem. 32, 287 (1988).
83. (h) R. Laenen, T. Roth, and A. Laubereau. Phys. Rev. Lett. 85, 50 (2000). See also A. Mozumder. Radiat. Phys. Chem. 32, 287 (1988).
84. (a) P. Clifford, N.J.B. Green, and M.J. Pilling. J. Phys. Chem. 86, 1318, 1322 (1982);
85. (b) P. Clifford, N.J.B. Green, M.J. Oldfield, M.J. Pilling, and S.M. Pimblott. J. Chem. Soc. Faraday Trans. 1, 82, 2673 (1986);
86. (c) P. Clifford, N.J.B. Green, M.J. Pilling, and S.M. Pimblott. J. Phys. Chem. 91, 4417 (1987). See also S.M. Pimblott and N.J.B. Green. Res. Chem. Kinet. 3, 117 (1995).
87. (c) P. Clifford, N.J.B. Green, M.J. Pilling, and S.M. Pimblott. J. Phys. Chem. 91, 4417 (1987). See also S.M. Pimblott and N.J.B. Green. Res. Chem. Kinet. 3, 117 (1995).
88. (a) T. Goulet and J.-P. Jay-Gerin. J. Phys. Chem. 92, 6871 (1988); Radiat. Res. 118, 46 (1989);
89. (a) T. Goulet and J.-P. Jay-Gerin. J. Phys. Chem. 92, 6871 (1988); Radiat. Res. 118, 46 (1989);
90. (b) T. Goulet, J.P. Patau, and J.-P. Jay-Gerin. Radiat. Prot. Dosim. 31, 33 (1990); J. Phys. Chem. 94, 7312 (1990).
91. (b) T. Goulet, J.P. Patau, and J.-P. Jay-Gerin. Radiat. Prot. Dosim. 31, 33 (1990); J. Phys. Chem. 94, 7312 (1990).
92. T. Goulet, J.-P. Jay-Gerin, Y. Frongillo, V. Cobut, and M.-J. Fraser. J. Chim. Phys. 93, 111 (1996).
93. (a) J.A. LaVerne and A. Mozumder. Radiat. Phys. Chem. 23, 637 (1984);
94. (b) C. Houée-Levin and J.-P. Jay-Gerin. J. Phys. Chem. 92, 6454 (1988);
95. (c) W.M. Bartczak and K. Pernal. Res. Chem. Intermed. 27, 891 (2001).
96. M. Michaud and L. Sanche. Phys. Rev. A: At. Mol. Opt. Phys. 36, 4672, 4684 (1987).
97. (a) G. Bader, G. Perluzzo, L.G. Caron, and L. Sanche. Phys. Rev. B: Cond. Mat. Mater. Phys. 26, 6019 (1982);
98. (b) N.J.B. Green, C.E. Bolton, and R.D. Spencer-Smith. Radiat. Environ. Biophys. 38, 221 (1999);
99. (c) Research needs and opportunities in radiation chemistry. Report DOE/SC-0003. U.S. Department of Energy, Germantown, Maryland. 1998;
100. (d) N.J.B. Green and S.M. Pimblott. Res. Chem. Intermed. 27, 529 (2001).
101. J. Meesungnoen, J.-P. Jay-Gerin, A. Filali-Mouhim, and S. Mankhetkorn. Can. J. Chem. 80, 767 (2002).
102. P.M. Mul, J.Wm. McGowan, P. Defrance, and J.B.A. Mitchell. J. Phys. B.: At. Mol. Phys. 16, 3099 (1983).
103. H. Ogura and W.H. Hamill. J. Phys. Chem. 77, 2952 (1973). See also Dayashankar and M.A. Prasad. Radiat. Phys. Chem. 45, 147 (1995).
104. H. Ogura and W.H. Hamill. J. Phys. Chem. 77, 2952 (1973). See also Dayashankar and M.A. Prasad. Radiat. Phys. Chem. 45, 147 (1995).
105. D. Swiatla-Wojcik and G.V. Buxton. J. Phys. Chem. 99, 11 464 (1995); Phys. Chem. Chem. Phys. 2, 5113 (2000). See also G.V. Buxton. In Radiation Chemistry: Present Status and Future Trends. Edited by C.D. Jonah and B.S.M. Rao. Elsevier Science B.V., Amsterdam. 2001. p. 145.
106. D. Swiatla-Wojcik and G.V. Buxton. J. Phys. Chem. 99, 11 464 (1995); Phys. Chem. Chem. Phys. 2, 5113 (2000). See also G.V. Buxton. In Radiation Chemistry: Present Status and Future Trends. Edited by C.D. Jonah and B.S.M. Rao. Elsevier Science B.V., Amsterdam. 2001. p. 145.
107. D. Swiatla-Wojcik and G.V. Buxton. J. Phys. Chem. 99, 11 464 (1995); Phys. Chem. Chem. Phys. 2, 5113 (2000). See also G.V. Buxton. In Radiation Chemistry: Present Status and Future Trends. Edited by C.D. Jonah and B.S.M. Rao. Elsevier Science B.V., Amsterdam. 2001. p. 145.
108. H. Shiraishi, Y. Katsumura, D. Hiroishi, K. Ishigure, and M. Washio. J. Phys. Chem. 92, 3011 (1988).
109. J.K. Thomas and R.V. Bensasson. J. Chem. Phys. 46, 4147 (1967).
110. G.V. Buxton. Proc. R. Soc. London A, 328, 9 (1972).
111. (a) E.M. Fielden and E.J. Hart. Radiat. Res. 32, 564 (1967);
112. (b) I.G. Draganić, M.T. Nenadović, and Z.D. Draganić. J. Phys. Chem. 73, 2564 (1969).
113. J. Belloni, F. Billiau, J.A. Delaire, M.O. Delcourt, and J.L. Marignier. Radiat. Phys. Chem. 21, 177 (1983).
114. B. Pastina and J.A. LaVerne. J. Phys. Chem. 103, 1592 (1999).
115. J.-P. Jay-Gerin and C. Ferradini. Chem. Phys. Lett. 317, 388 (2000).
116. Z.D. Draganić and I.G. Draganić. Int. J. Radiat. Phys. Chem. 7, 381 (1975). Quoted in ref. 9.
117. H.A. Schwarz. J. Phys. Chem. 73, 1928 (1969).
118. J.A. LaVerne and S.M. Pimblott. J. Phys. Chem. 95, 3196 (1991).
119. J.A. LaVerne. Radiat. Res. 153, 487 (2000).
120. D.M. Bartels, D. Gosztola, and C.D. Jonah. J. Phys. Chem. A, 105, 8069 (2001).