Thermodynamics of aqueous species at high temperatures and pressures: Equations of state and transport theory

Reviews in Mineralogy and Geochemistry

Volumn 76, Issue 1, 2013, Pages 35-79

  Dolejš, David ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84893625148     PISSN: 15296466     EISSN: None     Source Type: Book Series    
DOI: 10.2138/rmg.2013.76.3     Document Type: Article

References (216)

1. Ague JJ (2003) Fluid flow in the deep crust. In: The Crust. Rudnick RL (ed) Treatise Geochem 3:195-228
2. 2aq for description of silica dissolution at temperatures of 0-600 °C and pressures of 1-1000 bar. Geochem Int 39:1242-1244
3. Akinfiev NN (2000) A low-parameter description of aqueous nonelectrolytes in a wide range of parameters of state. Geochem Int 38:S221-S226
4. Akinfiev NN, Diamond LW (2003) Thermodynamic description of aqueous nonelectrolytes at infinite dilution over a wide range of state parameters. Geochim Cosmochim Acta 67:613-627
5. Akinfiev NN, Diamond LW (2004) A three-parameter EoS to describe aqueous non-electrolytes at infinite dilution over a wide range of state parameters, with preliminary application to 1:1 electrolytes. Fluid Phase Equilib 222-223:31-37
6. Anderko A, Wang P, Rafal M (2002) Electrolyte solutions: from thermodynamic and transport property models to the simulation of industrial processes. Fluid Phase Equilib 194-197:123-142
7. Anderson GM (1995) Is there alkali-aluminum complexing at high temperatures and pressures? Geochim Cosmochim Acta 59:2155-2161
8. nd ed). Cambridge University Press, Cambridge
9. Anderson GM, Burnham CW (1965) The solubility if quartz in supercritical water. Am J Sci 263:494-511
10. Anderson GM, Castet S, Schott J, Mesmer RE (1991) The density model for estimation of thermodynamic parameters of reactions at high temperatures and pressures. Geochim Cosmochim Acta 55:1769-1779
11. Anderson GM, Crerar DA (1993) Thermodynamics in Geochemistry: The Equilibrium Model. Oxford University Press, New York
12. Angell CA (1983) Supercooled water. Ann Rev Phys Chem 34:593-630
13. 8 fluids at 0.7-2.0 GPa and 700-1000 °C: Implications for mobility of nominally insoluble elements. Chem Geol 255:283-293
14. 2O activity in concentrated NaCl solutions at high pressures and temperatures measured by the brucite-periclase equilibrium. Contrib Mineral Petrol 125:200-212
15. Armelini FJ, Tester JW (1993) Solubility of sodium chloride and sulfate in sub- and supercritical water vapor from 450-500°C and 100-250 bar. Fluid Phase Equilib 84:123-142
16. Atkins PW, MacDermott AJ (1982) The Born equation and ionic solvation. J Chem Educ 59:359-360
17. Audétat A, Pettke T, Heinrich CA, Bodnar RJ (2008) The composition of magmatic-hydrothermal fluids in barren and mineralized intrusions. Econ Geol 103:877-908
18. Baier J, Audétat A, Keppler H (2008) The origin of the negative niobium tantalum anomaly in subduction zone magmas. Earth Planet Sci Lett 267:290-300
19. 4(aq) over a wide range of temperatures and pressures. J Phys Chem 111:181-190
20. Bandura AV, Lvov SN (2006) The ionization constant of water over a wide range of temperatures and densities. J Phys Chem Ref Data 35:15-30
21. Baumgartner LP, Ferry JM (1991) A model for coupled fluid-flow and mixed-volatile mineral reactions with applications to regional metamorphism. Contrib Mineral Petrol 106:273-285
22. Beinlich A, Klemd R, John T, Gao J (2010) Trace-element mobilization during Ca-metasomatism along a major fluid conduit: Eclogitization of blueschist as a consequence of fluid-rock interaction. Geochim Cosmochim Acta 74:1892-1922
23. Ben-Amotz D (2005) Global thermodynamics of hydrophobic cavitation, dewetting, and hydration. J Chem Phys 123:184504
24. Ben-Amotz D, Raineri FO, Stell G (2005) Solvation thermodynamics: theory and applications. J Phys Chem B 109:6866-6878
25. Ben-Naim A (1985) Solvation thermodynamics of inert-gas molecules in inert-gas liquids. J Phys Chem 89:5738-5743
26. Ben-Naim A (1987) Solvation Thermodynamics. Plenum Press, New York
27. Ben-Naim A (2006) Molecular Theory of Solutions. Oxford University Press, Oford
28. Ben-Naim A, Marcus Y (1984) Solvation thermodynamics of nonionic solutes. J Chem Phys 81:2016-2027
29. Benson SW (1968) Thermochemical kinetics. Methods for the estimation of thermochemical data and rate parameters. John Wiley & Sons, New York
30. 2. J Petrol 29:445-522
31. Bertrand CE, Anisimov MA (2011) Peculiar thermodynamics of the second critical point in supercooled water. J Phys Chem B 115:14099-14111
32. Bethke CM (2008) Geochemical and biogeochemical reaciton modeling (2nd ed). Cambridge University Press, Cambridge
33. Borisov MV, Shvarov YV (1992) Thermodynamics of Geochemical Processes. Moscow University, Moscow (in Russian)
34. Born M (1920) Volumen und Hydratationswärme der Ionen. Zeitschr Physik 1:45-48 (in German)
35. Bradley DJ, Pitzer KS (1983) Thermodynamics of electrolytes. 12. Dielectric properties of water and Debye-Hückel parameters to 350 °C and 1 kbar. J Phys Chem 83:1599-1603
36. 2O fluids. Geochim Cosmochim Acta 54:1563-1574
37. Breeding CM, Ague JJ, Broecker M (2004) Fluid-metasedimentary rock interactions in subduction-zone mélange: Implications for the chemical composition of arc magmas. Geology 32:1041-1044
38. Bryantsev VS, Diallo MS, Goddard III WA (2008) Calculation of solvation free energies of charged solutes using mixed cluster/continuum models. J Phys Chem B 112:9709-9719
39. Bryzgalin OV (1989) Electrostatic-model estimates of electrolyte dissociation constants up to 800 °C and 5 kbar. Geochem Int 26/10:63-70
40. Bucher K, Stober I (2010) Fluids in the upper continental crust. Geofluids 10:241-253
41. Bucholz CE, Ague JJ (2010) Fluid flow and Al transport during quartz-kyanite vein formation, Unst, Shetland Islands, Scotland. J Metamorph Geol 28:19-39
42. Caciagli NC, Manning CE (2003) The solubility of calcite in water at 5-16 kar and 500-800 °C. Contrib Mineral Petrol 146:275-285
43. th ed). J Phys Chem Ref Data Monogr 9
44. Cobble JW, Chen K, Turner PJ, Murray RC (1982) High-temperature thermodynamic data for species in aqueous solution. Final report. Electr Power Res Inst NP-2400
45. Coltorti M, Grégoire M (eds) (2009) Metasomatism in oceanic and continental lithospheric mantle. Geol Soc Spec Pub 293
46. Connolly JAD (2010) The mechanics of metamorphic fluid expulsion. Elements 6:165-172
47. Cooney WR, O'Connell JP (1987) Correlation of partial molar volumes at infinite dilution of salts in water. Chem Eng Comm 56:341-349
48. Coumou D, Driesner T, Heinrich CA (2008) The structure and dynamics of mid-ocean ridge hydrothermal systems. Science 321:1825-1828
49. Crerar DA, Anderson GM (1971) Solubility and solvation reactions of quartz in dilute hydrothermal solutions. Chem Geol 8:107-122
50. Criss CM, Wood RH (1996) Apparent molar volumes of aqueous solutions of some organic solutes at the pressure 28 MPa and temperatures to 598 K. J Chem Thermodyn 28:723-741
51. 2O} with x < 0.014 at supercritical conditions. Molar volumes, partial molar volumes of carbon dioxide at infinite dilution, and excess molar volumes. J Chem Thermodyn 22:231-243
52. Denison JT, Ramsey JB (1955) The free energy, enthalpy and entropy of dissociation of some perchlorates in ethylene chloride and ethylidene chloride. J Am Chem Soc 77:2615-2621
53. Djamali E, Cobble JW (2009) A unified theory of the thermodynamic properties of aqueous electrolytes to extreme temperatures and pressures. J Phys Chem B 113:2398-2403
54. Djamali E, Cobble JW (2010) Thermodynamic properties of aqueous polyatomic ions at extreme temperatures and pressures. J Phys Chem B 114:3887-3893
55. Dolejš D, Manning CE (2010) Thermodynamic model for mineral solubility in aqueous fluids: theory, calibration, and application to model fluid-flow systems. Geofluids 10:20-40
56. Dolejš D, Wagner T (2008) Thermodynamic modeling of non-ideal mineral-fluid equilibria in the system Si-Al-Fe-Mg-Ca-Na-K-H-O-Cl at elevated temperatures and pressures: Implications for hydrothermal mass transfer in granitic rocks. Geochim Cosmochim Acta 72:526-553
57. Ellis AJ (1966) Partial molal volumes of alkali chlorides in aqueous solution to 200°. J Chem Soc A 1966:2579-2584
58. Eugster HP, Baumgartner L (1987) Mineral solubilities and speciation in supercritical metamorphic fluids. Rev Mineral 17:367-403
59. Fein J, Walther JV (1989) Calcite solubility and speciation in supercritical NaCl-HCl aqueous fluids. Contrib Mineral Petrol 103:317-324
60. Fernández DP, Goodwin ARH, Lemmon EW, Levelt Sengers JMH, Williams RC (1997) A formulation for the static permittivity of water and steam at temperatures from 238 K to 873 K at pressures up to 1200 MPa including derivatives and Debye-Hückel coefficients. J Phys Chem Ref Data 26: 1125-1166
61. Ferry JM, Dipple GM (1991) Fluid flow, mineral reactions, and metasomatism. Geology 19:211-214
62. Ferry JM, Gerdes ML (1998) Chemically reactive fluid flow during metamorphism. Ann Rev Earth Planet Sci 26:255-287
63. Fletcher P (1993) Chemical Thermodynamics for Earth Scientists. Longman Scientific & Technical, Essex
64. Floriano WB, Nascimento MAC (2004) Dielectric constant and density of water as a function of pressure at constant temperature. Brazil J Phys 34:38-41
65. Fournier RO, Potter II RW (1982) An equation correlating the solubility of quartz in water from 25° to 900 °C at pressures up to 10,000 bars. Geochim Cosmochim Acta 46:1969-1973
66. Franck EU (1956) Zur Löslichkeit fester Stoffe in verdichteten Gasen. Zeitschr Physikal Chemie Neue Folge 6:345-355 (in German)
67. Franck EU, Rosenzweig S, Christoforakos M (1990) Calculation of the dielectric constant of water to 1000 °C and very high pressures. Ber Bundesges Phys Chem 94:199-203
68. Frisch HL (1963) The equation of state of the classical hard sphere fluid. Adv Chem Phys 6:229-289
69. Fuentevilla DA, Anisimov MA (2006) Scaled equation of state for supercooled water near the liquid-liquid critical point. Phys Rev Lett 97:195702
70. Fuoss RM (1958) Ionic association. III. The equilibrium between ion pairs and free ions. J Am Chem Soc 80:5059-5061
71. Galobardes JV, Van Hare DR, Rogers LB (1981) Solubility of sodium chloride in dry steam. J Chem Eng Data 26:363-365
72. Garven G (1995) Continental-scale groundwater flow and geologic processes. Ann Rev Earth Planet Sci 23:89-117
73. Gilkerson WR (1970) The importance of the effect of the solvent dielectric constant on ion-pair formation in water at high temperatures and pressures. J Phys Chem 74:746-750
74. Glasley WE (2001) Elemental composition of concentrated brines in subduction zones and the deep continental crust. Prec Res 105:371-383
75. Gorman PJ, Kerrick DM, Connolly JAD (2006) Modeling open system metamorphic decarbonation of subducting slabs. Geochem Geophys Geosyst 7:4
76. Gu Y, Gammons CH, Bloom MS (1994) A one-term extrapolation method for estimating equilibrium constants of aqueous reactions at elevated temperatures. Geochim Cosmochim Acta 58:3545-3560
77. Gurney RW (1953) Ionic Processes in Solution. McGraw-Hill, New York
78. Haar L, Gallagher JS, Kell GS (1984) NBS/NRC Steam Tables. Thermodynamic and transport properties and computer programs for vapor and liquid states of water in SI units. Hemisphere Publishing, Washington
79. Hamann SD, Lim SC (1954) The volume changes on ionization of weak electrolytes. Aust J Chem 7:329-334
80. Harris FE, Alder BJ (1953) Dielectric polarization in polar substances. J Chem Phys 21:1031-1038
81. Harris SJ, Tully-Smith DM (1971) Radial distribution functions and superficial quantities for rigid sphere fluids; method of "point" chemical potential using scaled particle theory. J Chem Phys 55:1104-1112
82. Helgeson HC, Delaney JM, Nesbitt HW, Bird DK (1978) Summary and critique of the thermodynamic properties of rock-forming minerals. Am J Sci 278A:1-229
83. Helgeson HC, Kirkham DH (1974) Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. I. Summary of the thermodynamic/electrostatic properties of the solvent. Am J Sci 274:1089-1198
84. Helgeson HC, Kirkham DH, Flowers GC (1981) Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures. Am J Sci 281:1249-1516
85. 2O and some general implications for alteration/mineralization processes. Econ Geol 75:210-228
86. Higashi H, Iwai Y, Matsumoto K, Kitani Y, Okazaki F, Shimoyama Y, Arai Y (2005) Measurement and correlation for solubilities of alkali metal chlorides in water vapor at high temperature and pressure. Fluid Phase Equilib 228-229:547-551
87. Ho PC, Palmer DA (1997) Ion association of dilute aqueous potassium chloride and potassium hydroxide solutions to 600 °C and 300 MPa determined by electrical conductance measurements. Geochim Cosmochim Acta 61:3027-3040
88. Ho PC, Palmer DA, Mesmer RE (1994) Electrical conductivity measurements of aqueous sodium chloride solutions to 600 °C and 300 MPa. J Solution Chem 23:997-1018
89. Holland TJB, Powell R (1998) An internally consistent thermodynamic data set for phases of petrological interest. J Metamorph Geol 16:309-343
90. Holland TJB, Powell R (2011) An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids. J Metamorph Geol 29:333-383
91. Holten V, Bertrand CE, Anisimov MA, Sengers JV (2012) Thermodynamics of supercooled water. J Chem Phys 136:094507
92. Hummel W, Berner U, Curti E, Pearson FJ, Thoenen T (2002) Nagra/PSI chemical thermodynamic data base 01/01. Universal Publishers
93. 2O near the upper critical end point based on quartz solubility experiments at 500-1100 °C and 5-20 kbar. Geochim Cosmochim Acta 86:196-213
94. Ingebritsen SE, Manning CE (2002) Diffuse fluid flux through orogenic belts: implications for the world ocean. Proc Natl Acad Sci 99:9113-9116
95. Ingebritsen SE, Manning CE (2010) Permeability of the continental crust: dynamic variations inferred from seismicity and metamorphism. Geofluids 10:193-205
96. John T, Klemd R, Gao J, Garbe-Schönberg D (2008) Trace-element mobilization in slabs due to non-steady state fluid-rock interaction: Constraints from an eclogite-facies transport vein in blueschist (Tianshan, China). Lithos 103:1-24
97. Johnson JW, Oelkers EH, Helgeson HC (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. Comp Geosci 18:899-947
98. Kebarle P (1977) Ion thermochemistry and solvation from gas phase ion equilibria. Ann Rev Phys Chem 28:445-476
99. Kennedy GC (1950) A portion of the system silica-water. Econ Geol 45:629-653
100. Kerrick DM, Connolly JAD (2001) Metamorphic devolatilization of subducted oceanic metabasalts: Implications for seismicity, arc magmatism and volatile recycling. Earth Planet Sci Lett 189:19-29
101. Kirkwood JG (1939) The dielectric polarization of polar liquids. J Chem Phys 7:911-919
102. Kirkwood JG, Buff FP (1951) The statistical mechanical theory of solutions. I. J Chem Phys 19:774-777
103. Kitahara S (1960) The solubility equilibrium and the rate of solution of quartz in water at high temperatures and high pressures. Rev Phys Chem Japan 30:122-130
104. Klotz IM (1950) Chemical Thermodynamics. Basic Theory and Methods. Prentice-Hall, New York
105. Konrad-Schmolke M, O'Brien PJ, Zack T (2011) Fluid migration above a subducted slab-constraints on amount, pathways and major element mobility from partially overprinted eclogite-facies rocks (Sesia Zone, Western Alps). J Petrol 52:457-486
106. Kosinski JJ, Anderko A (2001) Equation of state for high-temperature aqueous electrolyte and nonelectrolyte systems. Fluid Phase Equilib 183-184:75-86
107. L'vov SN (1982) Calculation of the standard thermodynamic characteristics for the dissolution of non-polar gases in water at high temperatures and pressure. Russ J Phys Chem 56:1326-1328
108. Lasaga AC (1998) Kinetic Theory in the Earth Sciences. Princeton University Press, Princeton
109. Lazaridis T (1998) Inhomogeneous fluid approach to solvation thermodynamics. 1. Theory. J Phys Chem 102:3531-3541
110. Lemke KH, Seward TM (2008) Solvation processes in steam: ab initio calculations of ion-solvent structures and clustering equilibria. Geochim Cosmochim Acta 72:3293-3310
111. Levelt Sengers JMH (1991) Solubility near the solvent's critical point. J Supercrit Fluids 4:215-222
112. Liebscher A (2010) Aqueous fluids at elevated pressure and temperature. Geofluids 10:3-19
113. Likholyot A, Lemke KH, Hovey JK, Seward TM (2007) Mass spectrometric and quantum chemical determination of proton water clustering equilibria. Geochim Cosmochim Acta 71:2436-2447
114. Lin Y, ten Kate A, Mooijer M, Delgado J, Fosbøl PL, Thomsen K (2010) Comparison of activity coefficient models for electrolyte systems. AIChE J 56:1334-1351
115. Luckas M, Krissmann J (2001) Thermodynamik der Elektrolytlösungen. Eine einheitliche Darstellung der Berechnung komplexer Gleichgewichte. Springer, Berlin (in German)
116. Majer V, Degrange S, Sedlbauer J (1999) Temperature correlation of partial molar volumes of aqueous hydrocarbons at infinite dilution: test of equations. Fluid Phase Equilib 158-160:419-428
117. 2S over a wide range of temperature and pressure. Fluid Phase Equilib 272:65-74
118. Majer V, Sedlbauer J, Wood RH (2004) Calculation of standard thermodynamic properties of aqueous electrolytes and non-electrolytes. In: Aqueous Systems at Elevated Temperatures and Pressures. Physical Chemistry in Water, Steam and Hydrothermal Solutions. Palmer DA, Fernández-Prini R, Harvey AH (eds) Elsevier, Amsterdam, p 99-147
119. 2O in the lower crust and upper mantle. Geochim Cosmochim Acta 58:4831-4839
120. Manning CE (2004) The chemistry of subduction-zone fluids. Earth Planet Sci Lett 223:1-16
121. Manning CE, Shock EL, Sverjensky DA (2013) The chemistry of carbon in aqueous fluids at crustal and upper-mantle conditions: experimental and theoretical constraints. Rev Mineral Geochem 75:109-148
122. Marshall WL (2008a) Dielectric constant of water discovered to be simple function of density over extreme ranges from -35 to +600°C and to 1200 MPa (12000 atm), believed universal. Nature Prec doi: 10.1038/npre.2008.2472.1
123. Marshall WL (2008b) Aqueous electrolyte ionization over extreme ranges as simple fundamental relation with density and believed universal; sodium chloride ionization from 0° to 1000 °C and to 1000 MPa (10000 Atm.). Nature Prec doi: 10.1038/npre.2008.2476.1
124. Marshall WL, Franck EU (1981) Ion product of water substance, 0-1000 °C, 1-10,000 bars. New international formulation and its background. J Phys Chem Ref Data 10:295-304
125. Marshall WL, Mesmer RE (1984) Pressure-density relationships and ionization equilibria in aqueous solutions. J Solution Chem 13:383-391
126. Marshall WL, Quist AS (1967) A representation of isothermal ion-ion-pair-solvent equilibria independent of changes in dielectric constant. Proc Natl Acad Sci 58:901-906
127. Martynova OI (1964) Some problems of the solubility of involatile inorganic compounds in water vapour at high temperatures and pressures. Russ J Phys Chem 38:587-592
128. Matteoli E (1997) A study on Kirkwood-Buff integrals and preferential solvation in mixtures with small deviations from ideality and/or size mismatch of components. Importance of proper reference system. J Phys Chem B 101:9800-9810
129. Matubayasi N, Levy RM (1996) Thermodynamics of the hydration shell. 2. Excess volume and compressibility of a hydrophobic solute. J Phys Chem 100:2681-2688
130. Mesmer RE, Baes CF Jr. (1974) Phosphoric acid dissociation equilibria in aqueous solutions to 300 °C. J Solution Chem 3:307-321
131. Mesmer RE, Marshall WL, Palmer DA, Simonson JM, Holmes HF (1988) Thermodynamics of aqueous association at high temperatures and pressures. J Solution Chem 17:699-718
132. Morey GW, Fournier RO, Rowe JJ (1962) The solubility of quartz in water in the temperature interval from 25° to 300 °C. Geochim Cosmochim Acta 26:1029-1043
133. Morey GW, Hesselgesser JM (1951) The solubility of some minerals in superheated steam at high pressures. Econ Geol 46:821-835
134. Mosebach R (1955) Die hydrothermale Löslichkeit des Quarzes als heterogenes Gasgleichgewicht. N Jahrb Mineral Abh 87:351-388 (in German)
135. Mungall JE (2002) Roasting the mantle: Slab melting and the geneis of major Au and Au-rich Cu deposits. Geology 30:915-918
136. Mysen BO (2010) Speciation and mixing behavior of silica-saturated aqueous fluid at high temperature and pressure. Am Mineral 95:1807-1816
137. Newton RC (1995) Simple-system mineral reactions and high-grade metamorphic fluids. Eur J Mineral 7:861-881
138. 2O fluid near the upper critical end point from quartz solubility measurements at 10 kbar. Earth Planet Sci Lett 274:241-249
139. Noyes RM (1963) Conventions defining thermodynamic properties of aqueous ions and other chemical species. J Chem Educ 40:2-10 (addendum 40:116)
140. Noyes RM (1964) Assignment of individual ionic contributions to properties of aqueous ions. J Am Chem Soc 86:971-979
141. O'Connell JP (1971) Thermodynamic properties of solutions based on correlation functions. Mol Phys 20:27-33
142. O'Connell JP (1990) Thermodynamic properties of mixtures from fluctuation solution theory. In: Fluctuation Theory of Mixtures. Matteoli E, Mansoori GA (eds) Taylor and Francis, New York, p 45-67
143. O'Connell JP (1991) Thermodynamics and fluctuation solution theory with some applications to systems at near- or supercritical conditions. In: Supercritical Fluids. Kiran E, Levelt Sengers JMG (eds) Kluwer Academic Publishers, Dordrecht, p 191-229
144. O'Connell JP (1995) Application of fluctuation solution theory to thermodynamic properties of solutions. Fluid Phase Equilib 104:21-39
145. O'Connell JP, Sharygin AV, Wood RH (1996) Infinite dilution partial molar volumes of aqueous solutes over wide ranges of conditions. Ind Eng Chem Res 35:2808-2812
146. Oelkers EH, Helgeson HC, Shock EL, Sverjensky DA, Johnson JW, Pokrovskii VA (1995) Summary of the apparent standard partial molal Gibbs free energies of formation of aqueous species, mineral, and gases at pressures 1 to 5000 bars and temperatures 25 to 1000°C. J Phys Chem Ref Data 24:1401-1560
147. Oliver NHS, Bons PD (2001) Mechanisms of fluid flow and fluid-rock interaction in fossil metamorphic hydrothermal systems from vein-wallrock patterns, geometry and microstructure. Geofluids 1:137-162
148. Palandri JL, Reed MH (2004) Geochemical models of metasomatism in ultramafic systems: serpentinization, rodingitization, and sea floor carbonate chimney precipitation. Geochim Cosmochim Acta 68:1115-1133
149. Palmer DA, Fernandéz-Prini R, Harvey AH (eds) (2004) Aqueous Systems at Elevated Temperatures and Pressures. Physical Chemistry in Water, Steam and Hydrothermal Solutions. Elsevier, Amsterdam
150. Parkhurst DL (1995) User's guide to PHREEQC, a computer model for speciation, reaction-path, advective transport and inverse geochemical calculations. US Geol Survey Water Res Invest Rep 95-4227, 143 p
151. Patey GN, Levesque D, Weis JJ (1979) Integral equation approximations for dipolar fluids. Mol Phys 38:219-239
152. nd ed). Cambridge University Press, Cambridge
153. Pierotti RA (1963) The solubility of gases in liquids. J Phys Chem 67:1840-1845
154. Pierotti RA (1976) A scaled particle theory of aqueous and nonaqueous solutions. Chem Rev 76:717-726
155. Pitzer KS (1982) Self-ionization of water to high temperature and the thermodynamic properties of the ions. J Phys Chem 86:4704-4708
156. Pitzer KS (1983a) Dielectric constant of water at very high temperature and pressure. Proc Natl Acad Sci 80:4575-4576
157. Pitzer KS (1983b) Thermodynamics of sodium chloride solutions in steam. J Phys Chem 87:1120-1125
158. 4 in the vapor phase of water: Henry's and vapor-liquid distribution constants, fugacity and cross virial coefficients. Geochim Cosmochim Acta 77:215-231
159. Plyasunov AV, O'Connell JP, Wood RH (2000) Infinite dilution partial molar properties of aqueous soluions of nonlectrolytes. I. Equations for partial molar volumes at infinite dilution and standard thermodynamic functions of hydration of volatile nonelectrolytes over wide ranges of conditions. Geochim Cosmochim Acta 64:495-512
160. Plyasunov AV, Shock EL (2001) Estimation of the Krichevskii parameter for aqueous nonelectrolytes. J Supercrit Fluids 20:91-103
161. Puigdomenech I, Plyasunov AV, Rard JA, Grenthe I (1997) Temperature corrections to thermodynamic data and enthalpy calculations. In: Modelling in Aquatic Chemistry. Grenthe I, Puigdomenech I (eds) Nuclear Energy Agency, Paris, p 427-493
162. Putnis A, Austrheim H (2010) Fluid-induced processes: metasomatism and metamorphism. Geofluids 10:254-269
163. Quist AS (1970) The ionization constant of water to 800 °C and 4000 bars. J Phys Chem 74:3393-3402
164. Quist AS, Marshall WL (1965) Estimation of the dielectric constant of water to 800°. J Phys Chem 69:3165-3167
165. Quist AS, Marshall WL (1968) Electrical conductances of aqueous sodium chloride solutions from 0 to 800° and at pressures to 4000 bars. J Phys Chem 72:684-703
166. Reed MH (1997) Hydrothermal alteration and its relationship to ore fluid composition. In: Geochemistry of hydrothermal ore deposits (3ed edition) Barnes HL (ed) John Wiley & Sons, Hoboken, p 303-365
167. Reiss H, Frisch HL, Lebowitz JL (1959) Statistical mechanics of rigid spheres. J Chem Phys 31:369-380
168. 5 Pascals) pressure and at higher temperatures. US Geol Surv Bull 2131, 461 pp
169. 5 Pascals) pressure and at higher temperatures. US Geol Surv Bull 1452, 456 pp
170. Rossini FD (1950) Chemical thermodynamics. John Wiley & Sons, New York
171. Ryzhenko BN, Bryzgalin OV (1987) Dissociation of acids under hydrothermal conditions. Geochem Int 24/8:122-127
172. Ryzhenko BN, Bryzgalin OV, Artamkina IY, Spassenykh MY, Shapkin AI (1985) An electrostatic model for the electrolytic dissociation of inorganic substances dissolved in water. Geochem Int 22/9:138-144
173. Ryzhenko BN, Bryzgalin OV, Shapkin AI (1991) Dissociation of salts and bases in aqueous solution at 25 °C and 1 bar. Geochem Int 28/5:77-83
174. Ryzhenko BN, Kovalenko NI & Prisyagina NI (2006) Titanium complexation in hydrothermal systems. Geochem Int 44:879-895
175. Sedlbauer J (2008) Modeling approaches to hydration properties of aqueous nonelectrolytes at elevated temperatures and pressures. Collect Czech Chem Commun 73:322-343
176. Sedlbauer J, O'Connell JP, Wood RH (2000) A new equation of state for correlation and prediction of standard molal thermodynamic properties of aqueous species at high temperatures and pressures. Chem Geol 163:43-63
177. Sedlbauer J, Wood RH (2004) Thermodynamic properties of dilute NaCl(aq) near the critical point of water. J Phys Chem B 108:11838-11849
178. Sharygin AV, Wood RH, Zimmerman GH, Balashov VN (2002) Multiple ion association versus redissociation in aqueous NaCl and KCl at high temperatures. J Phys Chem 106:7121-7134
179. Shock EL, Helgeson HC (1988) Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic species and equation of state predicitions to 5 kb and 1000 °C. Geochim Cosmochim Acta 52:2009-2036
180. Shock EL, Helgeson HC, Sverjensky DA (1989) Calculation of the thermodynamic and transport properties of aqueous species: Standard partial molal properties of inorganic neutral species. Geochim Cosmochim Acta 53:2157-2183
181. Shock EL, Oelkers EH, Johnson JW, Sverjensky DA, Helgeson HC (1992) Calculation of the thermodynamic properties of aqueous species at high pressures and temperatures: Effective electrostatic radii, dissociation constants and standard partial molal properties to 1000 °C and 5 kbar. J Chem Soc Farad Trans 88:803-826
182. Shock EL, Sassani DC, Willis M, Sverjensky DA (1997) Inorganic species in geologic fluids: Correlations among standard molal thermodynamic properties of aqueous ions and hydroxide complexes. Geochim Cosmochim Acta 61:907-950
183. Shulgin IL, Ruckenstein E (2006) The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures. J Phys Chem B 110:12707-12713
184. Shvarov Y, Bastrakov E (1999) HCh: A Software Package for Geochemical Equilibrium Modeling - User's Guide. Australian Geological Survey Organization Record 1999/25, 61 pp
185. Steefel CI, DePaolo DJ, Lichtner PC (2005) Reactive transport modeling: An essential tool and a new research approach for the Earth sciences. Earth Planet Sci Lett 240:539-558
186. 2O revisited: equation of state to very high temperatures and pressures including critical behavior. Mineral Mag 75:1961
187. Šulák M, Dolejš D (2012) Thermodynamic of aqueous solutes at high temperatures and pressures: application of the hydration theory and implications for fluid-mediated mass transfer. Geophys Res Abstr 14:13566
188. Sverjensky DA, Shock EL, Helgeson HC (1997) Prediction of the thermodynamic properties of aqueous metal complexes to 1000 °C and 5 kb. Geochim Cosmochim Acta 61:1359-1412
189. Sweeton FH, Mesmer RE, Baes CF (1974) Acidity measurements at elevated temperatures. VII. Dissociation of water. J Solution Chem 3:191-214
190. Tanger IV JC, Helgeson HC (1988) Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures. Revised equations of state for the standard partial molal properties of ions and electrolytes. Am J Sci 288:19-98
191. Tanger IV JC, Pitzer KS (1989a) Calculation of the thermodynamic properties of aqueous electrolytes to 1000 °C and 5000 bar from a semicontinuum model for ion hydration. J Phys Chem 93:4941-4951
192. 2O to 2,273 K and 500 MPa. AICHE J 35:1631-1638
193. Thompson AB (1997) Flow and focusing of metamorphic fluids. In: Fluid Flow and Transport in Rocks. Mechanisms and Effects. Yardley BWD, Jamtweit B (eds) Chapman and Hall, London, p 297-314
194. Thomsen K (2004) Thermodynamics of electrolyte systems for industry. In: Chemical Thermodynamics for Industry. Letcher TM (ed) Royal Soc Chem, Cambridge, p 219-229
195. Tremaine PR, Goldman S (1978) Calculation of Gibbs free energies of aqueous electrolytes to 350 °C from an electrostatic model of ionic hydration. J Phys Chem 82:2317-2321
196. Tremaine PR, Shvedov D, Xiao C (1997) Thermodynamic properties of aqueous morpholine and morpholinium chloride at temperatures from 10 to 300 °C: apparent molar volumes, heat capacities, and temperature dependence of ionization. J Phys Chem B 101:409-419
197. Uematsu M, Franck EU (1980) Static dielectric constant of water and steam. J Phys Chem Ref Data 9:1291-1306
198. Vitha MF, Carr PW (2000) The chemical meaning of the standard free energy of transfer: use of von der Waals' equation of state to unravel the interplay between free volume, volume entropy, and the role of standard states. J Phys Chem B 104:534-5349
199. Wagman DD (ed, 1982) The NBS tables of chemical thermodynamic properties: Selected values for inorganic and C1 and C2 organic substances in SI units. Am Chem Soc Am Inst Phys, New York
200. Wagner T, Kulik DA (2007) TP-corrections applying to electrostatic and density models. In: GEM-Selektor v. 3 on-line documentation. Paul Scherrer Institut, Villigen
201. Wagner W, Pruß A (2002) The IAPWS formulation 1995 for the thermodynamic properties of ordinary water substance for general and scientific use. J Phys Chem Ref Data 31:387-535
202. 2 fluids at mid-crustal conditions. J Metamorph Geol 10:789-797 (erratum 11:460)
203. Walther JV, Orville P (1983) The extraction-quench technique for determination of the thermodynamic properties of solute complexes: application to quartz solubility in fluid mixtures. Am Mineral 68:731-741
204. Walther JV, Schott J (1988) The dielectric constant approach to speciation and ion pairing at high temperature and pressure. Nature 332:635-638
205. Wasserman E, Wood B, Davies A (1995) Equation of state for aqueous silica species at pressures from 1 bar to 20 kbar and temperatures from 25° to 900 °C based on simulated values of the dielectric constant. Chem Geol 121:3-9
206. Webb TJ (1926) The free energy of hydration of ions and the electrostriction of the solvent. J Am Chem Soc 48:2589-2603
207. 2O in the range 1000-4000 bars and 400-550 °C. Geochim Cosmochim Acta 28:1243-1255
208. Wilson AM, Boles JR, Garven G (2000) Calcium mass transport and sandstone diagenesis during compaction-driven flow: Stevens Sandstone, San Joaquin Basin, California. Geol Soc Am Bull 112:845-856
209. Wood RH, Carter RW, Quint JR, Majer V, Thompson PT, Boccio JR (1994) Aqueous electrolytes at high temperatures: comparison of experiment with simulation and continuum models. J Chem Thermodyn 26:225-249
210. Wood SA, Samson IM (1998) Solubility of ore minerals and complexation of ore metals in hydrothermal solutions. Rev Econ Geol 10:33-80
211. Wyart J, Sabatier G (1955) Nouvelles mesures de la solubilité du quartz, de la tridymite et de la cristobalite dans l'eau sous pression au-dessus de la température critique. Compt Rendu Acad Sci 240:1905-1907 (in French)
212. Yardley BWD (2005) Metal concentrations in crustal fluids and their relationship to ore formation. Econ Geol 100:613-632
213. Yardley BWD (2013) The chemical composition of metasomatic fluids. In: Metasomatism and the chemical transformation of rock. Harlov DE, Austrheim H (eds) Springer Verlag, Berlin, p 17-51
214. Yeatts LB, Dunn LA, Marshall WL (1971) Electrical conductances and ionization behavior of sodium chloride in dioxane-water solutions at 100° and pressures to 4000 bars. J Phys Chem 75:1099-1106
215. Zack T, John T (2007) An evaluation of reactive fluid flow and trace element mobility in subducting slabs. Chem Geol 239:199-216
216. Zhu G, Gerya TV, Yuen DA, Honda S, Yoshida T, Connolly JAD (2009) Three-dimensional dynamics of hydrous thermal-chemical plumes in oceanic subduction zones. Geochem Geophys Geosyst 10:11