메뉴 건너뛰기




Volumn 140, Issue 23, 2014, Pages

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVITY COEFFICIENTS; COMPUTER SIMULATION; FREE ENERGY; IONIC CONDUCTION; IONS; SOLVATION;

EID: 84903183911     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4883742     Document Type: Article
Times cited : (71)

References (90)
  • 1
    • 20444443222 scopus 로고    scopus 로고
    • On the Rodil-Vera method for determining ion activity coefficients
    • 10.1016/j.fluid.2005.04.017
    • F. Malatesta, " On the Rodil-Vera method for determining ion activity coefficients," Fluid Phase Equilib. 233, 103-109 (2005). 10.1016/j.fluid.2005.04.017
    • (2005) Fluid Phase Equilib. , vol.233 , pp. 103-109
    • Malatesta, F.1
  • 2
    • 24944582042 scopus 로고    scopus 로고
    • On the measurement of individual ion activities
    • 10.1016/j.fluid.2005.05.021
    • G. Wilczek-Vera and J. H. Vera, " On the measurement of individual ion activities," Fluid Phase Equilib. 236, 96-110 (2005). 10.1016/j.fluid.2005.05.021
    • (2005) Fluid Phase Equilib. , vol.236 , pp. 96-110
    • Wilczek-Vera, G.1    Vera, J.H.2
  • 3
    • 33646466020 scopus 로고    scopus 로고
    • A complete discussion of the rationale supporting the experimental determination of individual ionic activities
    • 10.1016/j.fluid.2006.03.011
    • G. Wilczek-Vera, E. Rodil, and J. H. Vera, " A complete discussion of the rationale supporting the experimental determination of individual ionic activities," Fluid Phase Equilib. 244, 33-45 (2006). 10.1016/j.fluid.2006. 03.011
    • (2006) Fluid Phase Equilib. , vol.244 , pp. 33-45
    • Wilczek-Vera, G.1    Rodil, E.2    Vera, J.H.3
  • 4
    • 80054747198 scopus 로고    scopus 로고
    • The activity of individual ions: A conceptual discussion of the relation between the theory and the experimentally measured values
    • 10.1016/j.fluid.2011.09.009
    • G. Wilczek-Vera and J. H. Vera, " The activity of individual ions: A conceptual discussion of the relation between the theory and the experimentally measured values," Fluid Phase Equilib. 312, 79-84 (2011). 10.1016/j.fluid.2011.09.009
    • (2011) Fluid Phase Equilib. , vol.312 , pp. 79-84
    • Wilczek-Vera, G.1    Vera, J.H.2
  • 5
    • 84855648271 scopus 로고    scopus 로고
    • Comment on "the nature of single-ion activity coefficients calculated from potentiometric measurements on cells with liquid junctions" by Dmitri P. Zarubin, J. Chem. Thermodyn. 43, 1135-1152 (2011)
    • 10.1016/j.jct.2011.11.011
    • J. H. Vera and G. Wilczek-Vera, " Comment on "The nature of single-ion activity coefficients calculated from potentiometric measurements on cells with liquid junctions" by Dmitri P. Zarubin, J. Chem. Thermodyn. 43, 1135-1152 (2011)," J. Chem. Thermodyn. 47, 442-444 (2012). 10.1016/j.jct.2011.11.011
    • (2012) J. Chem. Thermodyn. , vol.47 , pp. 442-444
    • Vera, J.H.1    Wilczek-Vera, G.2
  • 6
    • 84855646309 scopus 로고    scopus 로고
    • Reply to comment by J. H. Vera and G. Wilczek-Vera on 'The nature of single-ion activity coefficients calculated from potentiometric measurements on cells with liquid junctions'
    • 10.1016/j.jct.2011.11.012
    • D. P. Zarubin, " Reply to comment by J. H. Vera and G. Wilczek-Vera on 'The nature of single-ion activity coefficients calculated from potentiometric measurements on cells with liquid junctions'," J. Chem. Thermodyn. 47, 445-448 (2012). 10.1016/j.jct.2011.11.012
    • (2012) J. Chem. Thermodyn. , vol.47 , pp. 445-448
    • Zarubin, D.P.1
  • 7
    • 84855676299 scopus 로고    scopus 로고
    • Short answer to the reply from D. P. Zarubin to our comment on "the nature of single-ion activity coefficients calculated from potentiometric measurements on cell with liquid-junction"
    • 10.1016/j.jct.2011.11.008
    • G. Wilczek-Vera and J. H. Vera, " Short answer to the reply from D. P. Zarubin to our comment on "The nature of single-ion activity coefficients calculated from potentiometric measurements on cell with liquid-junction"," J. Chem. Thermodyn. 47, 449-450 (2012). 10.1016/j.jct.2011.11.008
    • (2012) J. Chem. Thermodyn. , vol.47 , pp. 449-450
    • Wilczek-Vera, G.1    Vera, J.H.2
  • 8
    • 84855715303 scopus 로고    scopus 로고
    • The debate with G. Wilczek-Vera and J. H. Vera
    • 10.1016/j.jct.2011.11.010
    • D. P. Zarubin, " The debate with G. Wilczek-Vera and J. H. Vera," J. Chem. Thermodyn. 47, 451-452 (2012). 10.1016/j.jct.2011.11.010
    • (2012) J. Chem. Thermodyn. , vol.47 , pp. 451-452
    • Zarubin, D.P.1
  • 9
    • 1642403928 scopus 로고    scopus 로고
    • On the activity of ions and the junction potential: Revised values for all data
    • 10.1002/aic.10039
    • G. Wilczek-Vera, E. Rodil, and J. H. Vera, " On the activity of ions and the junction potential: Revised values for all data," AIChE J. 50, 445-462 (2004). 10.1002/aic.10039
    • (2004) AIChE J. , vol.50 , pp. 445-462
    • Wilczek-Vera, G.1    Rodil, E.2    Vera, J.H.3
  • 10
    • 80855134389 scopus 로고    scopus 로고
    • - - In aqueous hydrochloric acid solutions by use of an ionic liquid salt bridge
    • 10.1021/jp2052079
    • - - in aqueous hydrochloric acid solutions by use of an ionic liquid salt bridge," J. Phys. Chem. B 115, 13222-13226 (2011). 10.1021/jp2052079
    • (2011) J. Phys. Chem. B , vol.115 , pp. 13222-13226
    • Sakaida, H.1    Kakiuchi, T.2
  • 12
    • 0001166734 scopus 로고
    • The theory of electrolytes. I. Lowering of freezing point and related phenomena
    • P. Debye and E. Hückel, " The theory of electrolytes. I. Lowering of freezing point and related phenomena," Phys. Z. 24, 185-206 (1923).
    • (1923) Phys. Z. , vol.24 , pp. 185-206
    • Debye, P.1    Hückel, E.2
  • 14
    • 1642476230 scopus 로고    scopus 로고
    • Liquids, solutions, and interfaces: From classical macroscopic descriptions to modern microscopic details
    • (Oxford University Press, New York)
    • W. R. Fawcett, " Liquids, solutions, and interfaces: From classical macroscopic descriptions to modern microscopic details," Topics in Analytical Chemistry (Oxford University Press, New York, 2004).
    • (2004) Topics in Analytical Chemistry
    • Fawcett, W.R.1
  • 15
    • 77954057868 scopus 로고    scopus 로고
    • Simplified electrostatic model for the thermodynamic excess potentials of binary strong electrolyte solutions with size-dissimilar ions
    • 10.1080/00268971003716585
    • D. Fraenkel, " Simplified electrostatic model for the thermodynamic excess potentials of binary strong electrolyte solutions with size-dissimilar ions," Mol. Phys. 108, 1435-1466 (2010). 10.1080/00268971003716585
    • (2010) Mol. Phys. , vol.108 , pp. 1435-1466
    • Fraenkel, D.1
  • 16
    • 79955387208 scopus 로고    scopus 로고
    • Comment on "the nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations" [J. Chem. Phys. 133, 154507 (2010)]
    • 10.1063/1.3575598
    • D. Fraenkel, " Comment on "The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations" [J. Chem. Phys. 133, 154507 (2010)]," J. Chem. Phys. 134, 157101 (2011). 10.1063/1.3575598
    • (2011) J. Chem. Phys. , vol.134 , pp. 157101
    • Fraenkel, D.1
  • 17
    • 78751661566 scopus 로고    scopus 로고
    • Monoprotic mineral acids analyzed by the smaller-ion shell model of strong electrolyte solutions
    • 10.1021/jp108997f
    • D. Fraenkel, " Monoprotic mineral acids analyzed by the smaller-ion shell model of strong electrolyte solutions," J. Phys. Chem. B 115, 557-568 (2011). 10.1021/jp108997f
    • (2011) J. Phys. Chem. B , vol.115 , pp. 557-568
    • Fraenkel, D.1
  • 18
    • 83455201554 scopus 로고    scopus 로고
    • Effect of solvent permittivity on the thermodynamic behavior of HCl solutions: Analysis using the smaller-ion shell model of strong electrolytes
    • 10.1021/jp207878f
    • D. Fraenkel, " Effect of solvent permittivity on the thermodynamic behavior of HCl solutions: Analysis using the smaller-ion shell model of strong electrolytes," J. Phys. Chem. B 115, 14634-14647 (2011). 10.1021/jp207878f
    • (2011) J. Phys. Chem. B , vol.115 , pp. 14634-14647
    • Fraenkel, D.1
  • 19
    • 84858955651 scopus 로고    scopus 로고
    • Single-ion activity: Experiment versus theory
    • 10.1021/jp2123407
    • D. Fraenkel, " Single-ion activity: Experiment versus theory," J. Phys. Chem. B 116, 3603-3612 (2012). 10.1021/jp2123407
    • (2012) J. Phys. Chem. B , vol.116 , pp. 3603-3612
    • Fraenkel, D.1
  • 20
    • 84866872434 scopus 로고    scopus 로고
    • Electrolytic nature of aqueous sulfuric acid. 1. Activity
    • 10.1021/jp3060334
    • D. Fraenkel, " Electrolytic nature of aqueous sulfuric acid. 1. Activity," J. Phys. Chem. B 116, 11662-11677 (2012). 10.1021/jp3060334
    • (2012) J. Phys. Chem. B , vol.116 , pp. 11662-11677
    • Fraenkel, D.1
  • 21
    • 0006230811 scopus 로고
    • Mean spherical model for asymmetric electrolytes. 1. Method of solution
    • 10.1080/00268977500103051
    • L. Blum, " Mean spherical model for asymmetric electrolytes. 1. Method of solution," Mol. Phys. 30, 1529-1535 (1975). 10.1080/ 00268977500103051
    • (1975) Mol. Phys. , vol.30 , pp. 1529-1535
    • Blum, L.1
  • 22
    • 0001287235 scopus 로고
    • Simple electrolytes in the mean spherical approximation
    • 10.1021/j100558a008
    • R. Triolo, J. R. Grigera, and L. Blum, " Simple electrolytes in the mean spherical approximation," J. Phys. Chem. 80, 1858-1861 (1976). 10.1021/j100558a008
    • (1976) J. Phys. Chem. , vol.80 , pp. 1858-1861
    • Triolo, R.1    Grigera, J.R.2    Blum, L.3
  • 23
    • 36749109037 scopus 로고
    • Simple electrolytes in the mean spherical approximation. III. A workable model for aqueous solutions
    • 10.1063/1.434805
    • R. Triolo, L. Blum, and M. A. Floriano, " Simple electrolytes in the mean spherical approximation. III. A workable model for aqueous solutions," J. Chem. Phys. 67, 5956 (1977). 10.1063/1.434805
    • (1977) J. Chem. Phys. , vol.67 , pp. 5956
    • Triolo, R.1    Blum, L.2    Floriano, M.A.3
  • 24
    • 0001117001 scopus 로고
    • Simple electrolytes in the mean spherical approximation. 2. Study of a refined model
    • 10.1021/j100501a009
    • R. Triolo, L. Blum, and M. A. Floriano, " Simple electrolytes in the mean spherical approximation. 2. Study of a refined model," J. Phys. Chem. 82, 1368-1370 (1978). 10.1021/j100501a009
    • (1978) J. Phys. Chem. , vol.82 , pp. 1368-1370
    • Triolo, R.1    Blum, L.2    Floriano, M.A.3
  • 25
    • 0027593892 scopus 로고
    • Modification and application of the mean spherical approximation method
    • 10.1016/0378-3812(93)80006-9
    • J.-F. Lu, Y.-X. Lu, and Y.-G. Li, " Modification and application of the mean spherical approximation method," Fluid Phase Equilib. 85, 81-100 (1993). 10.1016/0378-3812(93)80006-9
    • (1993) Fluid Phase Equilib. , vol.85 , pp. 81-100
    • Lu, J.-F.1    Lu, Y.-X.2    Li, Y.-G.3
  • 26
    • 0001200251 scopus 로고    scopus 로고
    • Real ionic solutions in the mean spherical approximation. 1. Simple salts in the primitive model
    • 10.1021/jp953567o
    • J.-P. Simonin, L. Blum, and P. Turq, " Real ionic solutions in the mean spherical approximation. 1. Simple salts in the primitive model," J. Phys. Chem. 100, 7704-7709 (1996). 10.1021/jp953567o
    • (1996) J. Phys. Chem. , vol.100 , pp. 7704-7709
    • Simonin, J.-P.1    Blum, L.2    Turq, P.3
  • 27
    • 0000900350 scopus 로고    scopus 로고
    • Real ionic solutions in the mean spherical approximation. 2. Pure strong electrolytes up to very high concentrations, and mixtures, in the primitive model
    • 10.1021/jp970102k
    • J.-P. Simonin, " Real ionic solutions in the mean spherical approximation. 2. Pure strong electrolytes up to very high concentrations, and mixtures, in the primitive model," J. Phys. Chem. B 101, 4313-4320 (1997). 10.1021/jp970102k
    • (1997) J. Phys. Chem. B , vol.101 , pp. 4313-4320
    • Simonin, J.-P.1
  • 28
    • 0000751198 scopus 로고    scopus 로고
    • Role of solvent permittivity in estimation of electrolyte activity coefficients on the basis of the mean spherical approximation
    • 10.1021/jp952379v
    • W. R. Fawcett and A. C. Tikanen, " Role of solvent permittivity in estimation of electrolyte activity coefficients on the basis of the mean spherical approximation," J. Phys. Chem. 100, 4251-4255 (1996). 10.1021/jp952379v
    • (1996) J. Phys. Chem. , vol.100 , pp. 4251-4255
    • Fawcett, W.R.1    Tikanen, A.C.2
  • 29
    • 33646935225 scopus 로고    scopus 로고
    • Role of solvent permittivity in estimation of electrolyte activity coefficients for systems with ion pairing on the basis of the mean spherical approximation
    • 10.1002/bbpc.19961000515
    • A. C. Tikanen and W. R. Fawcett, " Role of solvent permittivity in estimation of electrolyte activity coefficients for systems with ion pairing on the basis of the mean spherical approximation," Ber. Bunsenges. Phys. Chem. 100, 634-640 (1996). 10.1002/bbpc.19961000515
    • (1996) Ber. Bunsenges. Phys. Chem. , vol.100 , pp. 634-640
    • Tikanen, A.C.1    Fawcett, W.R.2
  • 30
    • 0031343072 scopus 로고    scopus 로고
    • Application of the mean spherical approximation and ion association to describe the activity coefficients of aqueous 1:1 electrolytes
    • 10.1016/S0022-0728(97)00376-8
    • A. C. Tikanen and W. R. Fawcett, " Application of the mean spherical approximation and ion association to describe the activity coefficients of aqueous 1:1 electrolytes," J. Electroanal. Chem. 439, 107-113 (1997). 10.1016/S0022-0728(97)00376-8
    • (1997) J. Electroanal. Chem. , vol.439 , pp. 107-113
    • Tikanen, A.C.1    Fawcett, W.R.2
  • 31
    • 0042940376 scopus 로고    scopus 로고
    • Estimation of activity coefficients at different temperatures by using the mean spherical approximation
    • 10.1016/S0022-0728(99)00438-6
    • G. López-Pérez, D. González-Arjona, and M. Molero, " Estimation of activity coefficients at different temperatures by using the mean spherical approximation," J. Electroanal. Chem. 480, 9-17 (2000). 10.1016/S0022-0728(99)00438-6
    • (2000) J. Electroanal. Chem. , vol.480 , pp. 9-17
    • López-Pérez, G.1    González-Arjona, D.2    Molero, M.3
  • 32
    • 0035504152 scopus 로고    scopus 로고
    • Corrected Debye-Hückel analysis of surface complexation I. Bulk salt limit
    • 10.1006/jcis.2001.7844
    • Z. Abbas, M. Gunnarsson, E. Ahlberg, and S. Nordholm, " Corrected Debye-Hückel analysis of surface complexation I. Bulk salt limit," J. Colloid Interface Sci. 243, 11-30 (2001). 10.1006/jcis.2001.7844
    • (2001) J. Colloid Interface Sci. , vol.243 , pp. 11-30
    • Abbas, Z.1    Gunnarsson, M.2    Ahlberg, E.3    Nordholm, S.4
  • 33
    • 0037075449 scopus 로고    scopus 로고
    • Corrected Debye-Hückel theory of salt solutions: Size asymmetry and effective diameters
    • 10.1021/jp012054g
    • Z. Abbas, M. Gunnarsson, E. Ahlberg, and S. Nordholm, " Corrected Debye-Hückel theory of salt solutions: Size asymmetry and effective diameters," J. Phys. Chem. B 106, 1403-1420 (2002). 10.1021/jp012054g
    • (2002) J. Phys. Chem. B , vol.106 , pp. 1403-1420
    • Abbas, Z.1    Gunnarsson, M.2    Ahlberg, E.3    Nordholm, S.4
  • 34
    • 2342547015 scopus 로고    scopus 로고
    • Corrected Debye-Hückel analysis of surface complexation III. Spherical particle charging including ion condensation
    • 10.1016/j.jcis.2003.12.053
    • M. Gunnarsson, Z. Abbas, E. Ahlberg, and S. Nordholm, " Corrected Debye-Hückel analysis of surface complexation III. Spherical particle charging including ion condensation," J. Colloid Interface Sci. 274, 563-578 (2004). 10.1016/j.jcis.2003.12.053
    • (2004) J. Colloid Interface Sci. , vol.274 , pp. 563-578
    • Gunnarsson, M.1    Abbas, Z.2    Ahlberg, E.3    Nordholm, S.4
  • 35
    • 35148897794 scopus 로고    scopus 로고
    • From restricted towards realistic models of salt solutions: Corrected Debye-Hückel theory and Monte Carlo simulations
    • 10.1016/j.fluid.2007.07.026
    • Z. Abbas, E. Ahlberg, and S. Nordholm, " From restricted towards realistic models of salt solutions: Corrected Debye-Hückel theory and Monte Carlo simulations," Fluid Phase Equilib. 260, 233-247 (2007). 10.1016/j.fluid.2007.07.026
    • (2007) Fluid Phase Equilib. , vol.260 , pp. 233-247
    • Abbas, Z.1    Ahlberg, E.2    Nordholm, S.3
  • 36
    • 66349137057 scopus 로고    scopus 로고
    • Monte Carlo simulations of salt solutions: Exploring the validity of primitive models
    • 10.1021/jp808427f
    • Z. Abbas, E. Ahlberg, and S. Nordholm, " Monte Carlo simulations of salt solutions: Exploring the validity of primitive models," J. Phys. Chem. B 113, 5905-5916 (2009). 10.1021/jp808427f
    • (2009) J. Phys. Chem. B , vol.113 , pp. 5905-5916
    • Abbas, Z.1    Ahlberg, E.2    Nordholm, S.3
  • 37
    • 0001049448 scopus 로고
    • Symmetrical Poisson-Boltzmann and modified Poisson-Boltzmann theories
    • 10.1039/ft9918703227
    • C. W. Outhwaite, M. Molero, and L. B. Bhuiyan, " Symmetrical Poisson-Boltzmann and modified Poisson-Boltzmann theories," J. Chem. Soc., Faraday Trans. 87, 3227-3230 (1991). 10.1039/ft9918703227
    • (1991) J. Chem. Soc., Faraday Trans. , vol.87 , pp. 3227-3230
    • Outhwaite, C.W.1    Molero, M.2    Bhuiyan, L.B.3
  • 38
    • 0008464680 scopus 로고
    • Individual ionic activity coefficients from a symmetric Poisson-Boltzmann theory
    • 10.1039/ft9928801541
    • M. Molero, C. W. Outhwaite, and L. B. Bhuiyan, " Individual ionic activity coefficients from a symmetric Poisson-Boltzmann theory," J. Chem. Soc., Faraday Trans. 88, 1541-1547 (1992). 10.1039/ft9928801541
    • (1992) J. Chem. Soc., Faraday Trans. , vol.88 , pp. 1541-1547
    • Molero, M.1    Outhwaite, C.W.2    Bhuiyan, L.B.3
  • 39
    • 37049070397 scopus 로고
    • Primitive model electrolytes in the modified Poisson-Boltzmann theory
    • 10.1039/ft9938901315
    • C. W. Outhwaite, M. Molero, and L. B. Bhuiyan, " Primitive model electrolytes in the modified Poisson-Boltzmann theory," J. Chem. Soc., Faraday Trans. 89, 1315-1320 (1993). 10.1039/ft9938901315
    • (1993) J. Chem. Soc., Faraday Trans. , vol.89 , pp. 1315-1320
    • Outhwaite, C.W.1    Molero, M.2    Bhuiyan, L.B.3
  • 40
    • 50649085224 scopus 로고    scopus 로고
    • The simultaneous representation of dielectric constant, volume and activity coefficients using an electrolyte equation of state
    • 10.1016/j.fluid.2008.06.013
    • R. Inchekel, J.-C. de Hemptinne, and W. Fürst, " The simultaneous representation of dielectric constant, volume and activity coefficients using an electrolyte equation of state," Fluid Phase Equilib. 271, 19-27 (2008). 10.1016/j.fluid.2008.06.013
    • (2008) Fluid Phase Equilib. , vol.271 , pp. 19-27
    • Inchekel, R.1    De Hemptinne, J.-C.2    Fürst, W.3
  • 41
    • 78049272342 scopus 로고    scopus 로고
    • The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations
    • 10.1063/1.3489418
    • J. Vincze, M. Valiskó, and D. Boda, " The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations," J. Chem. Phys. 133, 154507 (2010). 10.1063/1.3489418
    • (2010) J. Chem. Phys. , vol.133 , pp. 154507
    • Vincze, J.1    Valiskó, M.2    Boda, D.3
  • 42
    • 2642580479 scopus 로고
    • Dielectric properties of aqueous ionic solutions
    • 10.1063/1.1746645
    • J. B. Hasted, D. M. Riston, and C. H. Collie, " Dielectric properties of aqueous ionic solutions," J. Chem. Phys. 16, 1-21 (1948). 10.1063/1.1746645
    • (1948) J. Chem. Phys. , vol.16 , pp. 1-21
    • Hasted, J.B.1    Riston, D.M.2    Collie, C.H.3
  • 43
    • 0002058674 scopus 로고
    • Dielectric properties of aqueous and alcoholic electrolytic solutions
    • 10.1063/1.1744418
    • J. B. Hasted and G. W. Roderick, " Dielectric properties of aqueous and alcoholic electrolytic solutions," J. Chem. Phys. 29, 17-26 (1958). 10.1063/1.1744418
    • (1958) J. Chem. Phys. , vol.29 , pp. 17-26
    • Hasted, J.B.1    Roderick, G.W.2
  • 44
    • 36849123344 scopus 로고
    • Dielectric properties of water in solutions
    • 10.1063/1.1700780
    • G. H. Haggis, J. B. Hasted, and T. J. Buchanan, " Dielectric properties of water in solutions," J. Chem. Phys. 20, 1452-1465 (1952). 10.1063/1.1700780
    • (1952) J. Chem. Phys. , vol.20 , pp. 1452-1465
    • Haggis, G.H.1    Hasted, J.B.2    Buchanan, T.J.3
  • 45
    • 0001556725 scopus 로고
    • Dielectric properties of water in solutions
    • 10.1039/tf9534901003
    • J. B. Hasted and S. M. El Sabeh, " Dielectric properties of water in solutions," Faraday Soc. Trans. 49, 1003-1011 (1953). 10.1039/tf9534901003
    • (1953) Faraday Soc. Trans. , vol.49 , pp. 1003-1011
    • Hasted, J.B.1    El Sabeh, S.M.2
  • 46
    • 0001212237 scopus 로고
    • Permittivity and dielectric and proton magnetic relaxation of aqueous solutions of the alkali halides
    • 10.1021/j100715a005
    • K. Giese, U. Kaatze, and R. Pottel, " Permittivity and dielectric and proton magnetic relaxation of aqueous solutions of the alkali halides," J. Phys. Chem. 74, 3718-3725 (1970). 10.1021/j100715a005
    • (1970) J. Phys. Chem. , vol.74 , pp. 3718-3725
    • Giese, K.1    Kaatze, U.2    Pottel, R.3
  • 47
    • 0001206285 scopus 로고
    • Calculation of Gibbs free-energies of aqueous-electrolytes to 350 °c from an electrostatic model for ionic hydration
    • 10.1021/j100510a014
    • P. R. Tremaine and S. Goldman, " Calculation of Gibbs free-energies of aqueous-electrolytes to 350°C from an electrostatic model for ionic hydration," J. Phys. Chem. 82, 2317-2321 (1978). 10.1021/j100510a014
    • (1978) J. Phys. Chem. , vol.82 , pp. 2317-2321
    • Tremaine, P.R.1    Goldman, S.2
  • 48
    • 0019679939 scopus 로고
    • Theoretical prediction of the thermodynamic behavior of aqueous-electrolytes at high-pressures and temperatures. 4. Calculation of activity-coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5 kb
    • 10.2475/ajs.281.10.1249
    • H. C. Helgeson, D. H. Kirkham, and G. C. Flowers, " Theoretical prediction of the thermodynamic behavior of aqueous-electrolytes at high-pressures and temperatures. 4. Calculation of activity-coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5 kb," Am. J. Sci. 281, 1249-1516 (1981). 10.2475/ajs.281.10.1249
    • (1981) Am. J. Sci. , vol.281 , pp. 1249-1516
    • Helgeson, H.C.1    Kirkham, D.H.2    Flowers, G.C.3
  • 49
    • 0033671636 scopus 로고    scopus 로고
    • A simple method to predict the solvation free energy and enthalpy of electrolytes in aqueous and non-aqueous solutions
    • R. Badarayani and A. Kumar, " A simple method to predict the solvation free energy and enthalpy of electrolytes in aqueous and non-aqueous solutions," Ind. J. Chem. 39A, 584-588 (2000).
    • (2000) Ind. J. Chem. , vol.39 , pp. 584-588
    • Badarayani, R.1    Kumar, A.2
  • 51
    • 84861831485 scopus 로고    scopus 로고
    • Dielectric constant of ionic solutions: A field-theory approach
    • 10.1103/PhysRevLett.108.227801
    • A. Levy, D. Andelman, and H. Orland, " Dielectric constant of ionic solutions: A field-theory approach," Phys. Rev. Lett. 108, 227801 (2012). 10.1103/PhysRevLett.108.227801
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 227801
    • Levy, A.1    Andelman, D.2    Orland, H.3
  • 52
    • 84875746620 scopus 로고    scopus 로고
    • Modeling of dielectric properties of complex fluids with an equation of state
    • 10.1021/jp310572q
    • B. Maribo-Mogensen, G. M. Kontogeorgis, and K. Thomsen, " Modeling of dielectric properties of complex fluids with an equation of state," J. Phys. Chem. B 117, 3389-3397 (2013). 10.1021/jp310572q
    • (2013) J. Phys. Chem. B , vol.117 , pp. 3389-3397
    • Maribo-Mogensen, B.1    Kontogeorgis, G.M.2    Thomsen, K.3
  • 53
    • 84884176852 scopus 로고    scopus 로고
    • Modeling of dielectric properties of aqueous salt solutions with an equation of state
    • 10.1021/jp403375t
    • B. Maribo-Mogensen, G. M. Kontogeorgis, and K. Thomsen, " Modeling of dielectric properties of aqueous salt solutions with an equation of state," J. Phys. Chem. B 117, 10523-10533 (2013). 10.1021/jp403375t
    • (2013) J. Phys. Chem. B , vol.117 , pp. 10523-10533
    • Maribo-Mogensen, B.1    Kontogeorgis, G.M.2    Thomsen, K.3
  • 54
    • 33645078713 scopus 로고
    • Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach
    • 10.1103/PhysRevE.52.3730
    • A. P. Lyubartsev and A. Laaksonen, " Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach," Phys. Rev. E 52, 3730-3737 (1995). 10.1103/PhysRevE.52.3730
    • (1995) Phys. Rev. e , vol.52 , pp. 3730-3737
    • Lyubartsev, A.P.1    Laaksonen, A.2
  • 55
    • 33748907734 scopus 로고    scopus 로고
    • Concentration effects in aqueous NaCl solutions: A molecular dynamics simulation
    • 10.1021/jp961317h
    • A. P. Lyubartsev and A. Laaksonen, " Concentration effects in aqueous NaCl solutions: A molecular dynamics simulation," J. Phys. Chem. B 100, 16410-16418 (1996). 10.1021/jp961317h
    • (1996) J. Phys. Chem. B , vol.100 , pp. 16410-16418
    • Lyubartsev, A.P.1    Laaksonen, A.2
  • 56
    • 0035934239 scopus 로고    scopus 로고
    • Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules
    • 10.1063/1.1387447
    • S. Chowdhuri and A. Chandra, " Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules," J. Chem. Phys. 115, 3732-3741 (2001). 10.1063/1.1387447
    • (2001) J. Chem. Phys. , vol.115 , pp. 3732-3741
    • Chowdhuri, S.1    Chandra, A.2
  • 57
    • 33846101097 scopus 로고    scopus 로고
    • Local order in aqueous NaCl solutions and pure water: X-ray scattering and molecular dynamics simulations study
    • 10.1021/jp0641583
    • S. Bouazizi, S. Nasr, N. Jaîdane, and M.-C. Bellissent-Funel, " Local order in aqueous NaCl solutions and pure water: X-ray scattering and molecular dynamics simulations study," J. Phys. Chem. B 110, 23515-23523 (2006). 10.1021/jp0641583
    • (2006) J. Phys. Chem. B , vol.110 , pp. 23515-23523
    • Bouazizi, S.1    Nasr, S.2    Jaîdane, N.3    Bellissent-Funel, M.-C.4
  • 58
    • 33846098276 scopus 로고    scopus 로고
    • Solubility of KF and NaCl in water by molecular simulation
    • 10.1063/1.2397683
    • E. Sanz and C. Vega, " Solubility of KF and NaCl in water by molecular simulation," J. Chem. Phys. 126, 014507 (2007). 10.1063/1.2397683
    • (2007) J. Chem. Phys. , vol.126 , pp. 014507
    • Sanz, E.1    Vega, C.2
  • 59
    • 66549109235 scopus 로고    scopus 로고
    • Molecular renormalization group coarse-graining of electrolyte solutions: Application to aqueous NaCl and KCl
    • 10.1021/jp9005058
    • A. Savelyev and G. A. Papoian, " Molecular renormalization group coarse-graining of electrolyte solutions: Application to aqueous NaCl and KCl," J. Phys. Chem. B 113, 7785-7793 (2009). 10.1021/jp9005058
    • (2009) J. Phys. Chem. B , vol.113 , pp. 7785-7793
    • Savelyev, A.1    Papoian, G.A.2
  • 60
    • 77956931884 scopus 로고    scopus 로고
    • Molecular dynamics in physiological solutions: Force fields, alkali metal ions, and ionic strength
    • 10.1021/ct9006579
    • C. Zhang, S. Raugei, B. Eisenberg, and P. Carloni, " Molecular dynamics in physiological solutions: Force fields, alkali metal ions, and ionic strength," J. Chem. Theory Comput. 6, 2167-2175 (2010). 10.1021/ct9006579
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 2167-2175
    • Zhang, C.1    Raugei, S.2    Eisenberg, B.3    Carloni, P.4
  • 61
    • 84873586846 scopus 로고    scopus 로고
    • Simple electrolyte solutions: Comparison of DRISM and molecular dynamics results for alkali halide solutions
    • 10.1063/1.4775743
    • I. S. Joung, T. Luchko, and D. A. Case, " Simple electrolyte solutions: Comparison of DRISM and molecular dynamics results for alkali halide solutions," J. Chem. Phys. 138, 044103 (2013). 10.1063/1.4775743
    • (2013) J. Chem. Phys. , vol.138 , pp. 044103
    • Joung, I.S.1    Luchko, T.2    Case, D.A.3
  • 62
    • 0000212154 scopus 로고
    • Effective ionic radii in oxides and fluorides
    • 10.1107/S0567740869003220
    • R. D. Shannon and C. T. Prewitt, " Effective ionic radii in oxides and fluorides," Acta Crystallogr., Sect. B 25, 925-946 (1969). 10.1107/S0567740869003220
    • (1969) Acta Crystallogr., Sect. B , vol.25 , pp. 925-946
    • Shannon, R.D.1    Prewitt, C.T.2
  • 65
    • 16444369971 scopus 로고    scopus 로고
    • Dielectric relaxation of aqueous NaCl solutions
    • 10.1021/jp982977k
    • R. Buchner, G. T. Hefter, and P. M. May, " Dielectric relaxation of aqueous NaCl solutions," J. Phys. Chem. A 103, 1-9 (1999). 10.1021/jp982977k
    • (1999) J. Phys. Chem. A , vol.103 , pp. 1-9
    • Buchner, R.1    Hefter, G.T.2    May, P.M.3
  • 66
    • 77954206977 scopus 로고    scopus 로고
    • An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes
    • 10.1063/1.3443558
    • A. Malasics and D. Boda, " An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes," J. Chem. Phys. 132, 244103 (2010). 10.1063/1.3443558
    • (2010) J. Chem. Phys. , vol.132 , pp. 244103
    • Malasics, A.1    Boda, D.2
  • 67
    • 41549083325 scopus 로고    scopus 로고
    • Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms
    • 10.1063/1.2839302
    • A. Malasics, D. Gillespie, and D. Boda, " Simulating prescribed particle densities in the grand canonical ensemble using iterative algorithms," J. Chem. Phys. 128, 124102 (2008). 10.1063/1.2839302
    • (2008) J. Chem. Phys. , vol.128 , pp. 124102
    • Malasics, A.1    Gillespie, D.2    Boda, D.3
  • 68
    • 34250928962 scopus 로고
    • Volumen und hydratationswarme der ionen
    • 10.1007/BF01881023
    • M. Born, " Volumen und hydratationswarme der ionen," Z. Phys. 1, 45-48 (1920). 10.1007/BF01881023
    • (1920) Z. Phys. , vol.1 , pp. 45-48
    • Born, M.1
  • 69
    • 0000064344 scopus 로고    scopus 로고
    • Thermodynamic parameters for the solvation of monatomic ions in water
    • 10.1021/jp991802n
    • W. R. Fawcett, " Thermodynamic parameters for the solvation of monatomic ions in water," J. Phys. Chem. B 103, 11181-11185 (1999). 10.1021/jp991802n
    • (1999) J. Phys. Chem. B , vol.103 , pp. 11181-11185
    • Fawcett, W.R.1
  • 71
    • 0031235787 scopus 로고    scopus 로고
    • Dielectric properties of aqueous NaCl solutions at microwave frequencies
    • 10.1021/jp971623a
    • K. Nörtemann, J. Hilland, and U. Kaatze, " Dielectric properties of aqueous NaCl solutions at microwave frequencies," J. Phys. Chem. A 101, 6864-6869 (1997). 10.1021/jp971623a
    • (1997) J. Phys. Chem. A , vol.101 , pp. 6864-6869
    • Nörtemann, K.1    Hilland, J.2    Kaatze, U.3
  • 72
    • 37248998947 scopus 로고    scopus 로고
    • Hydration of sodium, potassium, and chloride ions in solution and the concept of structure maker/breaker
    • 10.1021/jp075913v
    • R. Mancinelli, A. Botti, F. Bruni, M. A. Ricci, and A. K. Soper, " Hydration of sodium, potassium, and chloride ions in solution and the concept of structure maker/breaker," J. Phys. Chem. B 111, 13570-13577 (2007). 10.1021/jp075913v
    • (2007) J. Phys. Chem. B , vol.111 , pp. 13570-13577
    • Mancinelli, R.1    Botti, A.2    Bruni, F.3    Ricci, M.A.4    Soper, A.K.5
  • 73
    • 34249997342 scopus 로고    scopus 로고
    • Perturbation of water structure due to monovalent ions in solution
    • 10.1039/b701855j
    • R. Mancinelli, A. Botti, F. Bruni, M. A. Ricci, and A. K. Soper, " Perturbation of water structure due to monovalent ions in solution," Phys. Chem. Chem. Phys. 9, 2959-2967 (2007). 10.1039/b701855j
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 2959-2967
    • Mancinelli, R.1    Botti, A.2    Bruni, F.3    Ricci, M.A.4    Soper, A.K.5
  • 74
    • 79955369718 scopus 로고    scopus 로고
    • Response to "comment on 'The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations' [J. Chem. Phys. 134, 157101 (2011)]"
    • 10.1063/1.3575602
    • J. Vincze, M. Valiskó, and D. Boda, " Response to "Comment on 'The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations' [J. Chem. Phys. 134, 157101 (2011)]"," J. Chem. Phys. 134, 157102 (2011). 10.1063/1.3575602
    • (2011) J. Chem. Phys. , vol.134 , pp. 157102
    • Vincze, J.1    Valiskó, M.2    Boda, D.3
  • 76
    • 0042640726 scopus 로고
    • Some topics in the theory of fluids
    • 10.1063/1.1734110
    • B. Widom, " Some topics in the theory of fluids," J. Chem. Phys. 39, 2808-2812 (1963). 10.1063/1.1734110
    • (1963) J. Chem. Phys. , vol.39 , pp. 2808-2812
    • Widom, B.1
  • 77
    • 0000602167 scopus 로고
    • Widom's method for uniform and non-uniform electrolyte solutions
    • 10.1080/00268978800100203
    • B. R. Svensson and C. E. Woodward, " Widom's method for uniform and non-uniform electrolyte solutions," Mol. Phys. 64, 247-259 (1988). 10.1080/00268978800100203
    • (1988) Mol. Phys. , vol.64 , pp. 247-259
    • Svensson, B.R.1    Woodward, C.E.2
  • 78
    • 36549095343 scopus 로고
    • Alkali halides in water: Ion-solvent correlations and ion-ion potentials of mean force at infinite dilution
    • 10.1063/1.449894
    • B. M. Pettitt and P. J. Rossky, " Alkali halides in water: Ion-solvent correlations and ion-ion potentials of mean force at infinite dilution," J. Chem. Phys. 84, 5836-5844 (1986). 10.1063/1.449894
    • (1986) J. Chem. Phys. , vol.84 , pp. 5836-5844
    • Pettitt, B.M.1    Rossky, P.J.2
  • 79
    • 33645723455 scopus 로고
    • A dielectrically consistent interaction site theory for solvent-electrolyte mixtures
    • 10.1016/0009-2614(92)85201-K
    • J. Perkyns and B. M. Pettitt, " A dielectrically consistent interaction site theory for solvent-electrolyte mixtures," Chem. Phys. Lett. 190, 626-630 (1992). 10.1016/0009-2614(92)85201-K
    • (1992) Chem. Phys. Lett. , vol.190 , pp. 626-630
    • Perkyns, J.1    Pettitt, B.M.2
  • 80
    • 36449009271 scopus 로고
    • A site-site theory for finite concentration saline solutions
    • 10.1063/1.463485
    • J. Perkyns and B. M. Pettitt, " A site-site theory for finite concentration saline solutions," J. Chem. Phys. 97, 7656-7666 (1992). 10.1063/1.463485
    • (1992) J. Chem. Phys. , vol.97 , pp. 7656-7666
    • Perkyns, J.1    Pettitt, B.M.2
  • 81
    • 0027980364 scopus 로고
    • Integral equation approaches to structure and thermodynamics of aqueous salt solutions
    • 10.1016/0301-4622(94)00056-5
    • J. Perkyns and B. M. Pettitt, " Integral equation approaches to structure and thermodynamics of aqueous salt solutions," Biophys. Chem. 51, 129-146 (1994). 10.1016/0301-4622(94)00056-5
    • (1994) Biophys. Chem. , vol.51 , pp. 129-146
    • Perkyns, J.1    Pettitt, B.M.2
  • 82
    • 84863524913 scopus 로고    scopus 로고
    • Solubility of NaCl in water by molecular simulation revisited
    • 10.1063/1.4728163
    • J. L. Aragones, E. Sanz, and C. Vega, " Solubility of NaCl in water by molecular simulation revisited," J. Chem. Phys. 136, 244508 (2012). 10.1063/1.4728163
    • (2012) J. Chem. Phys. , vol.136 , pp. 244508
    • Aragones, J.L.1    Sanz, E.2    Vega, C.3
  • 83
    • 0037044167 scopus 로고    scopus 로고
    • Solubility of KF in water by molecular dynamics using the Kirkwood integration method
    • 10.1063/1.1498820
    • M. Ferrario, G. Ciccotti, E. Spohr, T. Cartailler, and P. Turq, " Solubility of KF in water by molecular dynamics using the Kirkwood integration method," J. Chem. Phys. 117, 4947-4953 (2002). 10.1063/1.1498820
    • (2002) J. Chem. Phys. , vol.117 , pp. 4947-4953
    • Ferrario, M.1    Ciccotti, G.2    Spohr, E.3    Cartailler, T.4    Turq, P.5
  • 84
    • 77957746230 scopus 로고    scopus 로고
    • A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols
    • 10.1063/1.3478539
    • A. S. Paluch, S. Jayaraman, J. K. Shah, and E. J. Maginn, " A method for computing the solubility limit of solids: Application to sodium chloride in water and alcohols," J. Chem. Phys. 133, 124504 (2010). 10.1063/1.3478539
    • (2010) J. Chem. Phys. , vol.133 , pp. 124504
    • Paluch, A.S.1    Jayaraman, S.2    Shah, J.K.3    Maginn, E.J.4
  • 85
    • 22344446443 scopus 로고    scopus 로고
    • Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase
    • 10.1021/jp0507492
    • M. Lísal, W. R. Smith, and J. Kolafa, " Molecular simulations of aqueous electrolyte solubility: 1. The expanded-ensemble osmotic molecular dynamics method for the solution phase," J. Phys. Chem. B 109, 12956-12965 (2005). 10.1021/jp0507492
    • (2005) J. Phys. Chem. B , vol.109 , pp. 12956-12965
    • Lísal, M.1    Smith, W.R.2    Kolafa, J.3
  • 86
    • 79959328604 scopus 로고    scopus 로고
    • Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl
    • 10.1021/jp202054d
    • F. Moučka, M. Lísal, J. Škvor, J. Jirsák, I. Nezbeda, and W. R. Smith, " Molecular simulation of aqueous electrolyte solubility. 2. Osmotic ensemble Monte Carlo methodology for free energy and solubility calculations and application to NaCl," J. Phys. Chem. B 115, 7849-7861 (2011). 10.1021/jp202054d
    • (2011) J. Phys. Chem. B , vol.115 , pp. 7849-7861
    • Moučka, F.1    Lísal, M.2    Škvor, J.3    Jirsák, J.4    Nezbeda, I.5    Smith, W.R.6
  • 87
    • 84861029012 scopus 로고    scopus 로고
    • Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid
    • 10.1021/jp301447z
    • F. Moučka, M. Lísal, and W. R. Smith, " Molecular simulation of aqueous electrolyte solubility. 3. Alkali-halide salts and their mixtures in water and in hydrochloric acid," J. Phys. Chem. B 116, 5468-5478 (2012). 10.1021/jp301447z
    • (2012) J. Phys. Chem. B , vol.116 , pp. 5468-5478
    • Moučka, F.1    Lísal, M.2    Smith, W.R.3
  • 88
    • 84903362354 scopus 로고    scopus 로고
    • Molecular simulation of aqueous electrolytes: Water chemical potential results and Gibbs-Duhem equation consistency tests
    • 10.1063/1.4821153
    • F. Moučka, I. Nezbeda, and W. R. Smith, " Molecular simulation of aqueous electrolytes: Water chemical potential results and Gibbs-Duhem equation consistency tests," J. Chem. Phys. 139, 124505 (2013). 10.1063/1.4821153
    • (2013) J. Chem. Phys. , vol.139 , pp. 124505
    • Moučka, F.1    Nezbeda, I.2    Smith, W.R.3
  • 89
    • 84887841920 scopus 로고    scopus 로고
    • Molecular force field development for aqueous electrolytes: 1. Incorporating appropriate experimental data and the inadequacy of simple electrolyte force fields based on Lennard-Jones and point charge interactions with Lorentz-Berthelot rules
    • 10.1021/ct4006008
    • F. Moučka, I. Nezbeda, and W. R. Smith, " Molecular force field development for aqueous electrolytes: 1. Incorporating appropriate experimental data and the inadequacy of simple electrolyte force fields based on Lennard-Jones and point charge interactions with Lorentz-Berthelot rules," J. Chem. Theory Comput. 9, 5076-5085 (2013). 10.1021/ct4006008
    • (2013) J. Chem. Theory Comput. , vol.9 , pp. 5076-5085
    • Moučka, F.1    Nezbeda, I.2    Smith, W.R.3
  • 90
    • 84885450427 scopus 로고    scopus 로고
    • Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations
    • 10.1063/1.4801322
    • F. Moučka, I. Nezbeda, and W. R. Smith, " Molecular force fields for aqueous electrolytes: SPC/E-compatible charged LJ sphere models and their limitations," J. Chem. Phys. 138, 154102 (2013). 10.1063/1.4801322
    • (2013) J. Chem. Phys. , vol.138 , pp. 154102
    • Moučka, F.1    Nezbeda, I.2    Smith, W.R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.