세계에너지시장정보 통합검색
정책동향보고서
| 제목 | 글로벌) 방사성 폐기물 관리에 대한 선택된 보조 관심 화합물 | ||
|---|---|---|---|
| 국가 | [글로벌] | 출처 | NEA |
| 산업구분 | [원자력발전] | 등록일 | 2024.07.15 |
이 보고서는 원자력 기술 및 폐기물 관리에서 주요 화학 원소의 화학 열역학에 대한 전문가 검토를 제공하는 보고서이다. 원문 제목 및 목차
제목 :
Selected Ancillary Compounds of Interest to Radioactive Waste Management 원문목차 :
I Introduction ................................................................................................................. 3
I.1 Background ............................................................................................................ 3
I.2 Focus of the Review ............................................................................................... 5
I.3 Review procedure and results ............................................................................... 6
II Standards, conventions and contents of the tables ................................................. 9
II.1 Symbols, terminology and nomenclature .......................................................... 9
II.1.1 Abbreviations ................................................................................................... 9
II.1.2 Symbols and terminology .............................................................................. 11
II.1.3 Chemical formulae and nomenclature ............................................................ 13
II.1.4 Phase designators ........................................................................................... 13
II.1.5 Processes ........................................................................................................ 15
II.1.6 Nomenclature in log terms ............................................................................. 16
II.1.7 Equilibrium constants .................................................................................... 16
II.1.7.1 Protonation of a ligand ............................................................................. 16
II.1.7.2 Formation of metal complexes ................................................................. 17
II.1.7.3 Solubility constants .................................................................................. 19
II.1.7.4 Equilibria involving the addition of a gaseous ligand .............................. 20
II.1.7.5 Redox equilibria ....................................................................................... 20
II.1.8 pH ................................................................................................................... 23
II.1.9 Order of formulae ........................................................................................... 25
II.1.10 Reference codes ........................................................................................... 26
II.2 Units and conversion factors ............................................................................ 27
II.3 Standard and reference conditions .................................................................. 30
II.3.1 Standard state ................................................................................................. 30
II.3.2 Standard state pressure ................................................................................... 31
II.3.3 Reference temperature ................................................................................... 34
II.4 Fundamental physical constants ...................................................................... 34
II.5 Uncertainty estimates ........................................................................................ 35
II.6 The NEA TDB system ....................................................................................... 35
II.7 Presentation of the selected data ...................................................................... 37
III Selected ancillary data ........................................................................................... 43
IV Selected auxiliary data ........................................................................................... 51
V Detailed assessments ................................................................................................. 81
V.1 Aqueous phosphate solutions ............................................................................ 83
V.1.1 Data for H3PO4(aq) ........................................................................................ 83
V.1.2 Interaction coefficients in alkali phosphate solutions .................................... 84
V.1.2.1 NaH2PO4(aq) ............................................................................................ 84
V.1.2.2 KH2PO4 .................................................................................................... 86
V.1.2.3 Na2HPO4 .................................................................................................. 88
V.1.2.4 K2HPO4 .................................................................................................... 89
V.1.2.5 Na3PO4 and K3PO4 ................................................................................... 91
V.1.2.6 Comparison of the alkali metal phosphate and arsenates ......................... 92
V.1.3 First dissociation constant of phosphoric acid ............................................... 94
V.1.4 Second dissociation constant of phosphoric acid ........................................... 97
V.1.5 Third dissociation constant of phosphoric acid ............................................ 103
V.1.6 Dissociation constants of polyphosphoric acids .......................................... 106
V.1.7 Summary of thermodynamic quantities ....................................................... 106
V.2 H2CO3(aq) and CO2(aq) .................................................................................. 107
V.2.1 Dissociation constants of carbonic acid ....................................................... 107
V.2.2 The dissociation constants of carbonic acid at 298.15 K, and the formation of 3NaCO− and NaHCO3(aq) ion pairs ........ 108
V.2.3 Temperature and pressure dependencies of the dissociation constants of carbonic acid ......... 113
V.3 SiO2(s) and SiO2(aq) species ............................................................................ 125
V.3.1 Silica polymorphs ........................................................................................ 125
V.3.1.1 Introduction ............................................................................................ 125
V.3.1.2 SiO2(quar) .............................................................................................. 125
V.3.1.2.1 Structures ......................................................................................... 125
V.3.1.2.2 SiO2(α-quar) .................................................................................... 126
V.3.1.2.3 SiO2(β-quar) .................................................................................... 129
V.3.1.3 SiO2(cris)................. ............................................................................... 130
V.3.1.3.1 Structures ......................................................................................... 130
V.3.1.3.2 SiO2(α -cris).......................................................................................131
V.3.1.3.3 SiO2(β -cris).......................................................................................132
V.3.1.3.4 Enthalpy of formation ...................................................................... 132
V.3.1.4 SiO2(trid) ................................................................................................ 134
V.3.1.4.1 Introduction and structures ............................................................... 134
V.3.1.4.2 SiO2(trid S-I) .................................................................................... 136
V.3.1.5 SiO2(vit) ................................................................................................. 140
V.3.1.5.1 Heat capacity and entropy ................................................................ 140
V.3.1.5.2 Enthalpy of formation ...................................................................... 142
V.3.1.6 SiO2(am) ................................................................................................. 144
V.3.1.7 Summary ................................................................................................ 145
V.3.2 Si-O-H.......................................................................................................... 146
V.3.2.1 Aqueous silicon tetrahydroxide .............................................................. 146
V.3.2.2 Si(OH)4(aq) ............................................................................................ 147
V.3.2.2.1 Solubility of α-quartz ....................................................................... 147
V.3.2.2.2 Solubility of amorphous silica .......................................................... 151
V.3.2.3 3SiO(OH)− .............................................................................................. 155
V.3.2.4 SiO2(OH)2 2− ........................................................................................... 157
V.3.2.5 Polysilicates ........................................................................................... 159
V.4 Aqueous borate species .................................................................................... 165
V.4.1 Monoborate species ..................................................................................... 165
V.4.1.1 Boric acid and the borate anion .............................................................. 165
V.4.1.1.1 Ion interaction coefficients involving the borate anion .................... 171
V.4.2 Polyborate species ........................................................................................ 172
V.5 Aluminium species ........................................................................................... 179
V.5.1 Solid aluminium compounds ....................................................................... 179
V.5.1.1 Aluminium oxide, Al2O3(cr) .................................................................. 179
V.5.1.1.1 Structure ........................................................................................... 179
V.5.1.1.2 Heat capacity and entropy ................................................................ 179
V.5.1.1.3 Enthalpy of formation ...................................................................... 183
V.5.1.2 Al(OH)3(cr) ............................................................................................ 184
V.5.1.2.1 Al(OH)3(gibb)........... ........................................................................ 184
V.5.1.2.2 Al(OH)3(β-baye)...............................................................................188
V.5.2 Discussion of data selection for aqueous aluminium species....................... 190
V.5.2.1 Aqueous Al3+ .......................................................................................... 190
V.5.2.2 Hydrolysis of aqueous aluminium(III) ................................................... 192
V.5.2.2.1 The first hydrolysis constant of Al3+ ................................................ 192
V.5.2.2.2 The second hydrolysis constant of Al3+ ............................................ 198
V.5.2.2.3 The third hydrolysis constant of Al3+ ............................................... 200
V.5.2.2.4 The fourth hydrolysis constant of Al3+ ............................................. 202
V.5.2.2.5 Higher-order hydrolysed aqueous Al(III) species ............................ 203
V.5.2.3 Solubility data for gibbsite or hydrargillite, α-Al(OH)3...........................205
V.5.2.3.1 First solubility constant in acidic media ........................................... 207
V.5.2.3.2 Second solubility constant of gibbsite in acidic media ..................... 210
V.5.2.3.3 Third solubility constant of gibbsite ................................................. 210
V.5.2.3.4 Fourth solubility constant of gibbsite ............................................... 211
V.5.2.3.5 Fifth solubility constant of gibbsite in basic media .......................... 212
V.5.2.4 Solubility data for bayerite ..................................................................... 218
V.5.2.5 Summary of thermodynamic data .......................................................... 222
V.6 Mg and Ca species ........................................................................................... 225
V.6.1 Magnesium species ...................................................................................... 225
V.6.1.1 Magnesium solid species ....................................................................... 225
V.6.1.1.1 MgO(cr) ........................................................................................... 225
V.6.1.1.2 Mg(OH)2(cr) (brucite) .......................................................................227
V.6.1.1.3 Magnesium chloride, MgCl2(cr) ....................................................... 229
V.6.1.1.4 Magnesium sulfate, MgSO4(cr) ........................................................ 231
V.6.1.1.5 Magnesium carbonate, MgCO3(cr) (magnesite) .............................. 233
V.6.1.1.6 Optimisation of some data for Mg species ....................................... 238
V.6.1.2 Magnesium aqueous species .................................................................. 240
V.6.1.2.1 Aqueous magnesium(II) ................................................................... 240
V.6.1.2.2 Solubility of magnesium(II) hydroxide (brucite) ............................. 241
V.6.1.2.3 Hydrolysis of aqueous magnesium(II) ............................................. 247
V.6.1.2.4 Aqueous magnesium(II) chloride ..................................................... 255
V.6.1.2.5 Aqueous magnesium(II) sulfate ....................................................... 258
V.6.1.2.6 The solubility of magnesite (MgCO3(cr)) ........................................ 266
V.6.1.2.7 Aqueous carbonato complexes of Mg2+ ........................................... 270
V.6.2 Calcium species ........................................................................................... 281
V.6.2.1 Solid calcium compounds ...................................................................... 281
V.6.2.1.1 CaO(cr) ............................................................................................. 281
V.6.2.1.2 Ca(OH)2(cr) (portlandite) ................................................................. 284
V.6.2.1.3 CaCl2(cr) .......................................................................................... 287
V.6.2.1.4 CaSO4(cr) (anhydrite) ...................................................................... 288
V.6.2.1.5 CaSO4·2H2O(cr) (gypsum) ............................................................... 291
V.6.2.1.6 Ca3(PO4)2(cr) .................................................................................... 293
V.6.2.1.7 Ca(H2PO4)2·H2O(cr) ......................................................................... 296
V.6.2.1.8 CaCO3(cr) ......................................................................................... 298
V.6.2.1.9 CaCO3(calc) ..................................................................................... 299
V.6.2.1.10 CaCO3(arag) ................................................................................... 304
V.6.2.2 Calcium aqueous species ....................................................................... 307
V.6.2.2.1 Aqueous calcium(II) ......................................................................... 307
V.6.2.2.2 Aqueous calcium(II) chloride ........................................................... 319
V.6.2.2.3 Aqueous calcium(II) sulfate ............................................................. 324
V.6.2.2.4 Aqueous calcium(II) carbonate ........................................................ 331
V.6.2.2.5 The solubility of gypsum and anhydrite ........................................... 349
V.6.3 Dolomite, CaMg(CO3)2(cr) .......................................................................... 367
V.6.3.1 Structure ................................................................................................. 367
V.6.3.2 Heat capacity and entropy ...................................................................... 368
V.6.3.3 Enthalpy and Gibbs energy of formation ............................................... 369
V.6.3.4 Decomposition pressures ....................................................................... 372
V.6.3.5 Solubility of dolomite ............................................................................ 373
V.6.3.6 Selected values for dolomite .................................................................. 379
V.7 Na and K species .............................................................................................. 381
V.7.1 Sodium carbonate, Na2CO3(cr) .................................................................... 381
V.7.1.1 Structure and polymorphism .................................................................. 381
V.7.1.2 Heat capacity and entropy ...................................................................... 382
V.7.1.3 Enthalpy of formation ............................................................................ 383
V.7.2 Sodium hydrogen carbonate, NaHCO3(cr) .................................................. 384
V.7.2.1 Structure and polymorphism .................................................................. 384
V.7.2.2 Heat capacity and entropy ...................................................................... 385
V.7.2.3 Enthalpy of formation ............................................................................ 385
V.7.3 Potassium carbonate, K2CO3(cr) .................................................................. 387
V.7.3.1 Structure and polymorphism .................................................................. 387
V.7.3.2 Heat capacity and entropy ...................................................................... 387
V.7.3.3 Enthalpy of formation ............................................................................ 388
V.7.4 Potassium hydrogen carbonate, KHCO3(cr) ................................................ 389
V.7.4.1 Structure and polymorphism .................................................................. 389
V.7.4.2 Heat capacity and entropy ...................................................................... 389
V.7.4.3 Enthalpy of formation ............................................................................ 389
V.8 Minerals ............................................................................................................ 391
V.8.1 Magnesium minerals .................................................................................... 391
V.8.1.1 Chrysotile, Mg3Si2O5(OH)4 = 3MgO·2SiO2·2H2O ............................... 391
V.8.1.1.1 Heat capacity and entropy ................................................................ 391
V.8.1.1.2 Enthalpy of formation ...................................................................... 392
V.8.1.2 Sepiolite, Mg4Si6O15(OH)2·nH2 = 4MgO·6SiO2·(n+1)H2O ................... 395
V.8.1.2.1 Structure and general survey ............................................................ 395
V.8.1.2.2 Heat capacity and entropy ................................................................ 395
V.8.1.2.3 Enthalpy of formation ...................................................................... 396
V.8.2 Calcium minerals: two hydrated borates (colemanite, inyoite) and OH and F-apatites ...... 396
V.8.2.1 Colemanite, CaB3O4(OH)3·H2O(cr) ....................................................... 396
V.8.2.1.1 Structure ........................................................................................... 396
V.8.2.1.2 Heat capacity and entropy ................................................................ 397
V.8.2.1.3 Enthalpy of formation ...................................................................... 397
V.8.2.2 Inyoite, CaB3O3(OH)5·4H2O(cr) ............................................................ 398
V.8.2.2.1 Structure ........................................................................................... 398
V.8.2.2.2 Heat capacity and entropy ................................................................ 398
V.8.2.2.3 Enthalpy of formation ...................................................................... 398
V.8.2.3 Hydroxylapatite, Ca5(PO4)3OH(cr) ........................................................ 399
V.8.2.3.1 Structure ........................................................................................... 399
V.8.2.3.2 Heat capacity and entropy ................................................................ 400
V.8.2.3.3 Enthalpy of formation ...................................................................... 401
V.8.2.4 Fluorapatite (Ca5(PO4)3F(cr)) ................................................................. 405
V.8.2.4.1 Structure ........................................................................................... 405
V.8.2.4.2 Heat capacity and entropy ................................................................ 405
V.8.2.4.3 Enthalpy of formation ...................................................................... 407
V.8.3 Na mineral: borax ........................................................................................ 410
V.8.3.1 Borax (Na2B4O7·10H2O(cr)) .................................................................. 410
V.8.3.1.1 Structure ........................................................................................... 410
V.8.3.1.2 Heat capacity and entropy ................................................................ 411
V.8.3.1.3 Enthalpy of formation ...................................................................... 411
Appendix A Discussion of selected references ......................................................... 417
Appendix B Ionic strength corrections .................................................................... 771
B.1 The specific ion interaction equations ............................................................ 773
B.1.1 Background .................................................................................................. 773
B.1.2 Ionic-strength corrections at temperatures other than 25 °C (298.15 K) ...... 779
B.1.3 Estimation of ion interaction coefficients .................................................... 780
B.1.3.1 Estimation from mean activity coefficient data ...................................... 780
B.1.3.2 Estimations based on experimental values of equilibrium constants at different ionic strengths ....... 780
B.1.4 On the magnitude of ion interaction coefficients ......................................... 783
B.2 Weak complexes within an ion interaction approach: Ion interaction coefficients versus equilibrium constants for ion pairs ...... 784
B.3 Tables of ion interaction coefficients .............................................................. 787
Appendix C Assigned uncertainties ......................................................................... 823
C.1 The general problem ........................................................................................ 823
C.2 Uncertainty estimates in the selected thermodynamic data ......................... 826
C.3 One source datum ............................................................................................ 827
C.4 Two or more independent source data ........................................................... 827
C.4.1 Discrepancies ............................................................................................... 829
C.5 Several data at different ionic strengths ........................................................ 831
C.5.1 Discrepancies or insufficient number of data points .................................... 832
C.6 Procedures for data handling ......................................................................... 836
C.6.1 Correction to zero ionic strength .................................................................. 836
C.6.2 Propagation of errors .................................................................................... 837
C.6.3 Rounding ...................................................................................................... 839
C.6.4 Significant digits .......................................................................................... 840
Bibliography ............................................................................................................... 841
List of cited authors .................................................................................................... 989
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| 원문 링크 | https://www.oecd-nea.org/jcms/pl_93961/selected-ancillary-compounds-of-interest-to-radioactive-waste-management | ||