메뉴 건너뛰기




Volumn 65, Issue 21, 2001, Pages 3879-3900

Correlation strategy for determining the parameters of the revised Helgeson-Kirkham-Flowers model for aqueous nonelectrolytes

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; AQUEOUS SOLUTION; GEOCHEMISTRY; PARAMETERIZATION; THERMODYNAMICS;

EID: 0035193630     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(01)00678-0     Document Type: Article
Times cited : (97)

References (210)
  • 3
    • 0001506197 scopus 로고
    • Heat capacities of aqueous acetic acid, sodium acetate, ammonia, and ammonium chloride at 283.15, 298.15, and 313.15 K: △Cp for ionization of acetic acid and dissociation of ammonium ion
    • (1981) J. Chem. Thermodyn , vol.13 , pp. 155-164
    • Allred, G.C.1    Woolley, E.M.2
  • 4
    • 0030837446 scopus 로고    scopus 로고
    • Group additivity equations of state for calculating the standard molal thermodynamic properties of aqueous organic species at elevated temperatures and pressures
    • (1997) Geochim. Cosmochim. Acta , vol.61 , pp. 11-46
    • Amend, J.P.1    Helgeson, H.C.2
  • 17
    • 46149133894 scopus 로고
    • Apparent molar volumes, isobaric expansion coefficients, and isentropic compressibilities, and their H/D isotope effects for some aqueous carbohydrate solutions
    • (1986) J. Chem. Thermodyn , vol.18 , pp. 955-968
    • Bernal, P.J.1    Hook, W.A.V.2
  • 19
    • 34250928962 scopus 로고
    • Volumen und Hydratationswärmen der lonen
    • (1920) Z. Phys , vol.1 , pp. 45-48
    • Born, M.1
  • 26
    • 0000259942 scopus 로고    scopus 로고
    • Ultrasonic and densimetric characterizations of the hydration properties of polar groups in monosaccharides
    • (1998) J. Phys. Chem. B , vol.102 , pp. 6921-6926
    • Chalikian, T.V.1
  • 30
    • 0032173274 scopus 로고    scopus 로고
    • Measurement of dilute mixture vapor-liquid equilibrium data for aqueous solutions of methanol and ethanol with a recirculating still
    • (1998) Fluid Phase Equil , vol.150-151 , pp. 763-773
    • Christensen, S.P.1
  • 31
    • 0000565389 scopus 로고    scopus 로고
    • Amino acids under hydrothermal conditions: Apparent molar volumes of α-alanine, β-alanine, and proline at temperatures from 298 to 523 K and pressures up to 20.0 MPa
    • (1999) J. Phys. Chem. B , vol.103 , pp. 5131-5144
    • Clarke, R.G.1    Tremaine, P.R.2
  • 35
  • 38
    • 0002280723 scopus 로고
    • 3OH in the range 278 to 323 K and 0.1 to 280 MPa. 1. Experimental results, isothermal compressibilities, thermal expansivities, and partial molar volumes
    • (1985) J. Chem. Thermodyn , vol.17 , pp. 49-62
    • Easteal, A.J.1    Woolf, L.A.2
  • 39
    • 0001396724 scopus 로고
    • 3CN) in the range 278 to 323 K and O.1 to 280 MPa 1. Experimental results, isothermal compressibilities, isobaric expansivities, and partial molar volumes
    • (1988) J. Chem. Thermodyn , vol.20 , pp. 693-669
    • Easteal, A.J.1    Woolf, L.A.2
  • 43
    • 0001149034 scopus 로고
    • Überkritisches Wasser als elektrolytisches Lösungsmittel
    • (1961) Angew. Chem , vol.73 , pp. 309-322
    • Franck, E.U.1
  • 51
    • 3042788225 scopus 로고
    • Calorimetric determination of enthalpies of solution of slightly soluble liquids. II. Enthalpy of solution of some hydrocarbons in water and their use in establishing the temperature dependence of their solubilities
    • (1976) J. Chem. Thermodyn , vol.8 , pp. 445-452
    • Gill, S.J.1    Nichols, N.F.2    Wadsö, I.3
  • 58
    • 0033379764 scopus 로고    scopus 로고
    • Halocarbons in the environment: Estimates of thermodynamic properties for aqueous chloroethylene species and their stabilities in natural settings
    • (1999) Geochim. Cosmochim. Acta , vol.63 , pp. 3429-3441
    • Haas, J.R.1    Shock, E.L.2
  • 66
    • 33751554374 scopus 로고
    • Supercritical solubility of solids from near-critical dilute-mixture theory
    • (1990) J. Phys. Chem , vol.94 , pp. 8403-8406
    • Harvey, A.H.1
  • 69
    • 0000803519 scopus 로고
    • Partial molar isothermal and isentropic compressibilities of glycine, alanine, and glycylglycine in aqueous solution at 25°C
    • (1995) J. Phys. Chem , vol.99 , pp. 12063-12064
    • Hedwig, G.R.1
  • 70
    • 0000872132 scopus 로고
    • Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: I. Thermodynamic/electrostatic properties of the solvent
    • (1974) Am. J. Sci , vol.274 , pp. 1089-1091
    • Helgeson, H.C.1    Kirkham, D.H.2
  • 71
    • 0000872131 scopus 로고
    • Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: II. Debye-Hückel parameters for activity coefficients and relative partial molal properties
    • (1974) Am. J. Sci , vol.274 , pp. 1199-1261
    • Helgeson, H.C.1    Kirkham, D.H.2
  • 72
    • 0016916923 scopus 로고
    • Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: III, Equation of state for aqueous species at infinite dilution
    • (1976) Am. J. Sci , vol.276 , pp. 97-240
    • Helgeson, H.C.1    Kirkham, D.H.2
  • 73
    • 0019679939 scopus 로고
    • Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: IV, Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5 kb
    • (1981) Am. J. Sci , vol.281 , pp. 1249-1516
    • Helgeson, H.C.1    Kirkham, D.H.2    Flowers, G.C.3
  • 79
    • 4243262557 scopus 로고
    • Apparent molal volume of aqueous solutions of propanoic acid, butanoic acid, isobutanoic acid, and their sodium salts at pressures up to 2000 bar at 25°C
    • (1973) J. Chem. Scand , vol.27 , pp. 2687-2693
    • Høiland, H.1
  • 80
    • 0001433263 scopus 로고
    • Partial molal volumes, expansibilities, and compressibilities for aqueous alcohol solutions between 5°C and 40°C
    • (1980) J. Solut. Chem , vol.9 , pp. 857-866
    • Høiland, H.1
  • 84
    • 0030371637 scopus 로고    scopus 로고
    • Apparent molar heat capacities of aqueous solutions of 1-propanol, butane-1,4-diol, and hexane- 1.6-diol at temperatures from 300 K to 525 K and a pressure of 28 MPa
    • (1996) J. Chem. Thermodyn , vol.28 , pp. 1059-1070
    • Inglese, A.1    Wood, R.H.2
  • 86
    • 0030495709 scopus 로고    scopus 로고
    • Apparent molar heat capacities of aqueous solutions of acetic, propanoic and succinic acids, sodium acetate and sodium propanoate from 300 to 525 K and a pressure of 28 MPa
    • (1996) J. Solut. Chem , vol.25 , pp. 849-864
    • Inglese, A.1    Sedlbauer, J.2    Wood, R.H.3
  • 87
    • 0000662893 scopus 로고    scopus 로고
    • Apparent molar heat capacities of aqueous solutions of propylamine, 1,4-butanediamine, 1,6-hexanediamine, propylamine hydrochloride, propionamide, pyridine, and sodium benzenesulfonate at temperatures from 300 K to 525 K and a pressure of 28 MPa
    • (1997) J. Chem. Thermodyn , vol.29 , pp. 517-531
    • Inglese, A.1    Sedlbauer, J.2    Yezdimer, E.M.3    Wood, R.H.4
  • 91
    • 0027007073 scopus 로고
    • SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bars and 0° to 1000°C
    • (1992) Comp. Geosci , vol.18 , pp. 899-947
    • Johnson, J.W.1    Oelkers, E.H.2    Helgeson, H.C.3
  • 92
    • 0000542047 scopus 로고
    • Thermodynamic properties of aqueous organic solutes in relation to their structure. Part III. Apparent molal volumes and heat capacities of low molecular weight alcohols and polyols at 25°C
    • (1976) Can. J. Chem , vol.54 , pp. 624-631
    • Jolicoeur, C.1    Lacroix, G.2
  • 96
    • 0024438754 scopus 로고
    • Volumetric properties of proteins and their analogs in diluted water solutions, 1. Partial volumes of amino acids at 15-55°C
    • (1989) Biophys. Chem , vol.34 , pp. 115-125
    • Kharakoz, D.P.1
  • 97
    • 33751499294 scopus 로고
    • Volumetric properties of protein and their analogs in diluted water solutions, 2. Partial adiabatic compressibilities of amino acids at 15-70°C
    • (1991) J. Phys. Chem , vol.95 , pp. 5634-5642
    • Kharakoz, D.P.1
  • 101
    • 0001482029 scopus 로고
    • Energetique des liaisons intra- et intermoleculaires dans la serie des omega-alecanediols. 1. Ethude calorimetrique des enthalpies de vaporisation a 298.15 K
    • (1988) Bull. Soc. Chim. France , pp. 834-836
    • Knauth, P.1    Sabbah, R.2
  • 105
    • 0006800957 scopus 로고
    • The densities and compression isotherms of formic acid-, acetic acid-, propionic acid-, and isobutyric acid-water mixtures
    • (1971) Acta Chem. Scand , vol.25 , pp. 2852-2864
    • Korpela, J.1
  • 121
    • 0025360593 scopus 로고
    • Heat capacity of proteins. 1. Partial molar heat capacity of individual amino acid residues in aqueous solution: Hydration effect
    • (1990) J. Mol. Biol , vol.213 , pp. 375-384
    • Makhatadze, G.I.1    Privalov, P.L.2
  • 125
    • 0001008701 scopus 로고
    • Complete equilibrium constants, electrolyte equilibria, and reaction rates
    • (1970) J. Phys. Chem , vol.74 , pp. 346-355
    • Marshall, W.L.1
  • 130
    • 0020500452 scopus 로고
    • Studies on aqueous solutions of saccharides, II. Viscosity B-coefficients, apparent molar volumes, and activity coefficients of D-glucose, maltose, and malto-triose in aqueous solutions
    • (1983) Bull. Chem. Soc. Jpn , vol.56 , pp. 1954-1957
    • Miyajima, K.1    Sawada, M.2    Nakagaki, M.3
  • 138
    • 0001992894 scopus 로고
    • Temperature dependence of the heat-capacity change for the dissociation of acetic acid and of propiionic acid in water
    • (1984) J. Chem. Thermodyn , vol.16 , pp. 39-44
    • Olofsson, G.1
  • 146
    • 0001315127 scopus 로고
    • Thermodynamic properties of aqueous non-electrolyte mixtures. II. Vapour pressures and excess Gibbs energies for water + ethanol at 303.15 to 363.15 K determined by an accurate static method
    • (1978) J. Chem. Thermodyn , vol.10 , pp. 867-888
    • Pemberton, R.C.1    Mash, C.J.2
  • 148
    • 33747754400 scopus 로고
    • A scaled particle theory of aqueous and nonaqueous solutions
    • (1976) Chem. Rev , vol.76 , pp. 717-726
    • Pierotti, R.A.1
  • 149
    • 0000087138 scopus 로고
    • Self-ionization of water at high temperature and the thermodynamic properties of the ions
    • (1982) J. Phys. Chem , vol.86 , pp. 4704-4708
    • Pitzer, K.S.1
  • 150
    • 0027839114 scopus 로고
    • Description of the standard thermodynamic properties of dissolved electrolytes from the total equilibrium constant
    • (1993) Geochem. Intern , vol.30 , Issue.8 , pp. 52-65
    • Plyasunov, A.V.1
  • 151
    • 0013081279 scopus 로고
    • Estimation of the Henry constant of apolar gases at temperatures above the critical temperature of water
    • In Russian
    • (1991) Dokl. Akad. Nauk , vol.321 , pp. 1071-1074
    • Plyasunov, A.V.1
  • 153
    • 0034037846 scopus 로고    scopus 로고
    • Infinite dilution partial molar properties of aqueous solutions of nonelectrolytes. I. Equations for partial molar volumes at infinite dilution and standard thermodynamic functions of hydration of volatile nonelectrolytes over wide ranges of conditions
    • (2000) Geochim. Cosmochim. Acta , vol.64 , pp. 495-512
    • Plyasunov, A.V.1    O'Connell, J.P.2    Wood, R.H.3
  • 155
  • 158
  • 160
    • 3543055704 scopus 로고    scopus 로고
    • Solubility of carbon dioxide in aqueous olutions containing acetic acid or sodium hydroxide in the temperature range rom 313 to 433 K and at total pressures up to 10 MPa
    • (1998) Ind. Eng. Chem. Res , vol.37 , pp. 2012-2019
    • Rumpf, B.1    Xia, J.2    Maurer, G.3
  • 161
    • 0000895383 scopus 로고
    • Partial molar volumes in aqueous mixtures of nonelectrolytes. IV. Aromatic hydrocarbons
    • (1990) Bull. Chem. Soc. Jpn , vol.63 , pp. 1695-1699
    • Sakurai, M.1
  • 173
  • 177
    • 0028976031 scopus 로고
    • Organic acids in hydrothermal solutions: Standard molal thermodynamic properties of carboxylic acids and estimates of dissociation constants at high temperatures and pressures
    • (1995) Am. J. Sci , vol.295 , pp. 496-580
    • Shock, E.L.1
  • 178
    • 0024190666 scopus 로고
    • Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic species and equation of state predictions to 5 kb and 1000°C
    • (1988) Geochim. Cosmochim. Acta , vol.52 , pp. 2009-2036
    • Shock, E.L.1    Helgeson, H.C.2
  • 180
    • 0025207061 scopus 로고
    • Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Standard partial molal properties of organic species
    • (1990) Geochim. Cosmochim. Acta , vol.54 , pp. 915-945
    • Shock, E.L.1    Helgeson, H.C.2
  • 182
    • 0031318579 scopus 로고    scopus 로고
    • Thermodynamic properties of aqueous dimethylamine and dimethylammonium choride at temperatures from 283 to 523 K: Apparent molar volumes, heat capacities, and temperature dependence of ionization
    • (1997) J. Solut. Chem , vol.26 , pp. 1113-1143
    • Shvedov, D.1    Tremaine, P.2
  • 183
    • 0006833971 scopus 로고
    • Volume properties of dilute aqueous solutions of poly(oxyethylene) and its low molecular models
    • (1985) Coll. Czech. Chem. Comm , vol.50 , pp. 2146-2158
    • Sikora, A.1
  • 185
    • 0000997532 scopus 로고
    • Trospospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the Southwestern United States and Henry's law data
    • (1985) J. Geophys. Res , vol.90 , pp. 3793-3805
    • Snider, J.R.1    Dawson, G.A.2
  • 192
    • 0002815416 scopus 로고
    • 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
    • (1988) Am. J. Sci , vol.288 , pp. 19-98
    • Tanger IV, J.C.1    Helgeson, H.C.2
  • 193
    • 0000582335 scopus 로고
    • Calculation of the thermodynamic properties of aqueous electrolytes to 1000°C and 5000 bar from a semicontinuum model for ion hydration
    • (1989) J. Phys. Chem , vol.93 , pp. 4941-4951
    • Tanger IV, J.C.1    Pitzer, K.S.2
  • 196
    • 0001206285 scopus 로고
    • Calculation of Gibbs free energies of aqueous electrolytes to 350°C from an electrostatic model for ionic hydration
    • (1978) J. Phys. Chem , vol.82 , pp. 2317-2321
    • Tremaine, P.R.1    Goldman, S.2
  • 199
    • 34249830707 scopus 로고
    • Temperature dependence of apparent molar volumes and viscosity B-coefficients of amino acids in aqueous potassium thiocyanate solutions from 15 to 35°C
    • (1992) J. Solut. Chem , vol.21 , pp. 163-170
    • Wadi, R.K.1    Goyal, R.K.2
  • 200
    • 33748614609 scopus 로고    scopus 로고
    • Partial molal volumes and adiabatic compressibilities of transfer of glycine and DL-alanine from water to aqueous sodium sulfate at 288.15, 298.15 and 308.15 K
    • (1997) J. Chem. Soc. Faraday Trans , vol.93 , pp. 2443-3247
    • Wadi, R.K.1    Ramasami, P.2
  • 206
    • 0017855698 scopus 로고
    • Interaction of the peptide bond with solvent water: A vapor phase analysis
    • (1978) Biochemistry , vol.17 , pp. 201-204
    • Wolfenden, R.1
  • 210
    • 0032118072 scopus 로고    scopus 로고
    • Excess molar volumes and excess Gibbs energies in N-methylformamide + water, or + methanol, or + ethanol at the temperature 303.15 K
    • (1998) J. Chem. Eng. Data , vol.43 , pp. 650-652
    • Zielkiewicz, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.