竹野直人（2005）

Eh-pHアトラス　～熱力学データベースの相互比較　　http://www.gsj.jp/GDB/openfile/files/no0419/0419index.html
　竹野直人氏による。地質調査総合センター研究資料集、 no. 419。『日本語版 openfile419j.pdf (649KB)』、『English version openfile419e.pdf (648KB)』。

目次
１．はじめに		8
２．データベースについて		8
３．作成法
3.1	FACT/FACTSAGE	10
3.2	SUPCRT/FLASK-AQ	10
3.3	LLNL/GWB	10
3.4	JNC-TDB/GWB	10
3.5	HATCHES/FLASK-AQ	10
3.6	OECD/NEA	10
3.7	OECD-NEAupdate	11
４．図表の説明		11
５．信頼性と精度について		12
６．使用ソフトウェアとその実行環境		12

図目次

1 本報告の作成フロー図. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
2 Eh-pHダイアグラムの凡例. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
3 Eh-pH diagrams of the system Ac-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 16
4 Eh-pH diagrams of the system Ac-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 17
5 Eh-pH diagrams of the system Ag-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 20
6 Eh-pH diagrams of the system Ag-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 21
7 Eh-pH diagrams of the system Al-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 24
8 Eh-pH diagrams of the system Al-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 25
9 Eh-pH diagrams of the system Am-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 28
10 Eh-pH diagrams of the system Am-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 29
11 Eh-pH diagrams of the system As-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 32
12 Eh-pH diagrams of the system As-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 33
13 Eh-pH diagrams of the system Au-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 35
14 Eh-pH diagrams of the system B-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 38
15 Eh-pH diagrams of the system B-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 39
16 Eh-pH diagrams of the system Ba-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 42
17 Eh-pH diagrams of the system Ba-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 43
18 Eh-pH diagrams of the system Be-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 46
19 Eh-pH diagrams of the system Be-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 47
20 Eh-pH diagrams of the system Bi-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
21 Eh-pH diagrams of the system Br-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 51
22 Eh-pH diagrams of the system C-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 54
23 Eh-pH diagrams of the system C-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 55
24 Eh-pH diagrams of the system Ca-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 58
25 Eh-pH diagrams of the system Ca-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 59
26 Eh-pH diagrams of the system Cd-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 62
27 Eh-pH diagrams of the system Cd-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 63
28 Eh-pH diagrams of the system Ce-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 66
29 Eh-pH diagrams of the system Ce-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 67
30 Eh-pH diagrams of the system Cl-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 69
31 Eh-pH diagrams of the system Cm-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 72
32 Eh-pH diagrams of the system Cm-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 73
33 Eh-pH diagrams of the system Co-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 76
34 Eh-pH diagrams of the system Co-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 77
35 Eh-pH diagrams of the system Cr-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 80
36 Eh-pH diagrams of the system Cr-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 81
37 Eh-pH diagrams of the system Cs-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 84
38 Eh-pH diagrams of the system Cs-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 85
39 Eh-pH diagrams of the system Cu-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 88
40 Eh-pH diagrams of the system Cu-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 89
42 Eh-pH diagrams of the system Er-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 93
43 Eh-pH diagrams of the system Eu-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 96
44 Eh-pH diagrams of the system Eu-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 97
45 Eh-pH diagrams of the system F-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 100
46 Eh-pH diagrams of the system F-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 101
47 Eh-pH diagrams of the system Fe-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 104
48 Eh-pH diagrams of the system Fe-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 105
49 Eh-pH diagrams of the system Fr-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 107
50 Eh-pH diagrams of the system Ga-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 109
51 Eh-pH diagrams of the system Gd-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . 111
52 Eh-pH diagrams of the system Ge-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 113
53 Eh-pH diagrams of the system Hf-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 115
54 Eh-pH diagrams of the system Hg-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 118
55 Eh-pH diagrams of the system Hg-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 119
56 Eh-pH diagrams of the system Ho-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 121
57 Eh-pH diagrams of the system I-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . . 124
58 Eh-pH diagrams of the system I-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . . 125
59 Eh-pH diagrams of the system In-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 127
60 Eh-pH diagrams of the system K-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 130
61 Eh-pH diagrams of the system K-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 131
62 Eh-pH diagrams of the system La-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 134
63 Eh-pH diagrams of the system La-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 135
64 Eh-pH diagrams of the system Li-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 138
65 Eh-pH diagrams of the system Li-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 139
66 Eh-pH diagrams of the system Lu-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 141
67 Eh-pH diagrams of the system Mg-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 144
68 Eh-pH diagrams of the system Mg-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 145
69 Eh-pH diagrams of the system Mn-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 148
70 Eh-pH diagrams of the system Mn-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 149
71 Eh-pH diagrams of the system Mo-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 152
72 Eh-pH diagrams of the system Mo-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 153
73 Eh-pH diagrams of the system N-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 156
74 Eh-pH diagrams of the system N-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 157
75 Eh-pH diagrams of the system Na-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 160
76 Eh-pH diagrams of the system Na-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 161
77 Eh-pH diagrams of the system Nb-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 164
78 Eh-pH diagrams of the system Nb-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 165
79 Eh-pH diagrams of the system Nd-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 168
80 Eh-pH diagrams of the system Nd-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 169
81 Eh-pH diagrams of the system Ni-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 172
82 Eh-pH diagrams of the system Ni-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 173
83 Eh-pH diagrams of the system Np-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 176
84 Eh-pH diagrams of the system Np-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 177
85 Eh-pH diagrams of the system Os-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 179
86 Eh-pH diagrams of the system P-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 182
87 Eh-pH diagrams of the system P-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 183
88 Eh-pH diagrams of the system Pa-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 186
89 Eh-pH diagrams of the system Pa-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 187
90 Eh-pH diagrams of the system Pb-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 190
91 Eh-pH diagrams of the system Pb-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 191
92 Eh-pH diagrams of the system Pd-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 193
93 Eh-pH diagrams of the system Pm-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . 195
94 Eh-pH diagrams of the system Po-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 197
95 Eh-pH diagrams of the system Pr-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 199
96 Eh-pH diagrams of the system Pt-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 201
97 Eh-pH diagrams of the system Pu-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 204
98 Eh-pH diagrams of the system Pu-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 205
99 Eh-pH diagrams of the system Ra-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 208
100 Eh-pH diagrams of the system Ra-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 209
101 Eh-pH diagrams of the system Rb-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 211
102 Eh-pH diagrams of the system Re-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 213
103 Eh-pH diagrams of the system Rh-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
104 Eh-pH diagrams of the system Ru-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 218
105 Eh-pH diagrams of the system Ru-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 219
106 Eh-pH diagrams of the system S-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 222
107 Eh-pH diagrams of the system S-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 223
108 Eh-pH diagrams of the system Sb-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 226
109 Eh-pH diagrams of the system Sb-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 227
110 Eh-pH diagrams of the system Sc-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 229
111 Eh-pH diagrams of the system Se-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 232
112 Eh-pH diagrams of the system Se-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 233
113 Eh-pH diagrams of the system Si-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 236
114 Eh-pH diagrams of the system Si-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 237
115 Eh-pH diagrams of the system Sm-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 240
116 Eh-pH diagrams of the system Sm-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 241
117 Eh-pH diagrams of the system Sn-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 244
118 Eh-pH diagrams of the system Sn-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 245
119 Eh-pH diagrams of the system Sr-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 248
120 Eh-pH diagrams of the system Sr-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 249
121 Eh-pH diagrams of the system Tb-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 251
122 Eh-pH diagrams of the system Tc-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 254
123 Eh-pH diagrams of the system Tc-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 255
124 Eh-pH diagrams of the system Te-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 257
125 Eh-pH diagrams of the system Th-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . 260
126 Eh-pH diagrams of the system Th-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . 261
127 Eh-pH diagrams of the system Tl-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 263
128 Eh-pH diagrams of the system Tm-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . 265
129 Eh-pH diagrams of the system U-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 268
130 Eh-pH diagrams of the system U-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 269
131 Eh-pH diagrams of the system V-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 272
132 Eh-pH diagrams of the system V-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 273
133 Eh-pH diagrams of the system W-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 275
134 Eh-pH diagrams of the system Y-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 277
135 Eh-pH diagrams of the system Yb-O-H . . . . . . . . . . . . . . . . . . . . . . . . . . . 279
136 Eh-pH diagrams of the system Zn-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 282
137 Eh-pH diagrams of the system Zn-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 283
138 Eh-pH diagrams of the system Zr-O-H (1) . . . . . . . . . . . . . . . . . . . . . . . . . 286
139 Eh-pH diagrams of the system Zr-O-H (2) . . . . . . . . . . . . . . . . . . . . . . . . . 287

参考文献

Anderko, A. and Shuler, P.J. (1997) A computational approach to predicting the formation of iron sulfide species using stability diagrams, Computers & Geosciences, 23, 647-658.
Bale, C.W., Chartrand, P., Degtrev, S.A. , Eriksson, G., Hack, K., Ben Mahfoud, R., Melancon, J., Pelton, A.D., and Petersen, S. (2002) FactSage thermochemical software and databases, Calphad, 26, 189-228.
Brookins, D.G. (1988) Eh-pH diagrams for geochemistry, Springer-Verlag New York, 176p.
Garrels, R.M. and Christ, C.L. (1965) Solution, minerals and equilibria, Freeman, Cooper & company, San Francisco, 450p.
Johnson, J.W., Oelkers, E.H., and Helgeson, H.C. (1992) SUPCRT92: a software package for calculating the standard molal thermodynamic properties of minerals gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000.C, Computers & Geosciences, 18, 899-947.
Grenthe, I., Fuger, J., Konings, R.J.M. , Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H. (1992) Chemical Thermodynamics of Uranium (Wanner, H., Forest, I., Nuclear Energy Agency, Organisation for Economic Co-operation, Development eds.), vol. 1, Chemical Thermodynamics, North Holland Elsevier Science Publishers B.V., Amsterdam, 715p.
Guillaumont, R., Fanghanel, T., Neck, V., Fuger, J. , Palmer, D.A., Grenthe, I., and Rand, M.H. (2003) Updete on the chemical thermodynamics of uranium, neptunium, plutonium, americium and technetium (Mompean, F.J., Illemassene, M., Domenech-Orti, C., and Ben-Said K., Nuclear Energy Agency Data Bank, Organisation for Economic Co-operation, Development eds.), vol. 5 Chemical Thermodynamics, North Holland Elsevier Science Publishers B.V., Amsterdam, 964p.
Lemire, R.J., Fuger, J., Nitsche, H., Potter, P.E. , Rand, M.H., Rydberg, J., Spahiu, K., Sullivan, J.C., Ullman, W.J., Vitorge,P., and Wanner, H.(2001) Chemical Thermodynamics of Neptunium and Plutonium (Nuclear Energy Agency Data Bank, Organisation for Economic Co-operation, Development ed.), vol. 4, Chemical Thermodynamics, North Holland Elsevier Science Publishers B.V., Amsterdam. 845p.
Pourbaix, M. (1966) Atlas of electrochemical equilibria in aqueous solutions (English edition), Pergamon press, Oxford, 644p.
Rard, J.A., Rand, M.H., Anderegg, G., and Wanner, H. (1999) Chemical Thermodynamics of Technetium (Sandino, M.C.A., Osthols, E., Nuclear Energy Agency Data Bank, Organisation for Economic Co-operation, Development eds.), vol. 3, Chemical Thermodynamics, North Holland Elsevier Science Publishers B.V., Amsterdam, 544p.
Silva, R.J., Bidoglio, G., Rand, M.H. , Robouch, P.B., Wanner, H., and Puigdomenech, I. (1995) Chemical Thermodynamics of Americium (Nuclear Energy Agency, Organisation for Economic Co-operation, Development ed.), vol. 2, Chemical Thermodynamics, North Holland Elsevier Science Publishers B.V., Amsterdam, 374p.

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