화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.31, No.12, 2251-2260, December, 2014
DOI10.1007/s11814-014-0185-1  Export Citation
Development of electrolyte SAFT-HR equation of state for single electrolyte solutions
Azam Najafloo, Farzaneh Feyzi†, and Ali Taghi Zoghi1
  • Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Tehran 16846-13114, Iran
  • 1Research Institute of Petroleum Industries, Tehran 14665-1998, Iran
E-mail:
The explicit version of the mean spherical approximation (MSA) is added to the SAFT-HR equation of state (EoS) to model aqueous alkali halide solutions. The proposed electrolyte equation of state (eEoS) has two parameters per each ion. Two methods are in common use for calculating ion parameters: ion-based and salt-based. In this work, the electrolyte parameters are obtained for 61 single electrolyte solutions using salt-based method. Using this approach, mean ionic activity coefficients of the 61 aqueous electrolyte systems were modeled with overall average absolute relative percent deviation (AAD%) of 3.91. Also, for testing the ability of the model in terms of ionic parameters, six salts (NaCl, NaBr, NaI, KCl, KBr and KI) were studied using ion-based method. The liquid densities, osmotic coefficients and salt mean ionic activity coefficients of 6 aqueous electrolyte solutions were modeled with overall AAD% of 0.68, 2.28 and 0.96, respectively.
Keywords:Electrolyte Solutions;SAFT-HR EoS;Mean Spherical Approximation
  1. Prausnitz J, Lichtenthaler R, de Azevedo E, Molecular thermodynamics of fluid-phase equilibria (3rd Ed.), Prentice Hall (1998)
  2. Kontogeorgis GM, Folas GK, Thermodynamic models for industrial applications, John Wiley & Sons, Ltd. (2009)
  3. Blum L, Mol. Phys., 30, 1529 (1975)
  4. Blum L, J. Stat. Phys., 18, 451 (1978)
  5. Tan SP, Adidharma H, Radosz M, Ind. Eng. Chem. Res., 47(21), 8063 (2008)
  6. Haghtalab A, Mazloumi SH, Fluid Phase Equilib., 285(1-2), 96 (2009)
  7. Chen CC, Evans LB, AIChE J., 32, 444 (1986)
  8. Pitzer KS, Activity coefficients in electrolyte solutions, 2nd Ed., CRC Press (1991)
  9. Haghtalab A, Vera JH, AIChE J., 34, 803 (1988)
  10. Planche H, Renon H, The J. Phys. Chem., 85, 3924 (1981)
  11. Myers JA, Sandler SI, Wood RH, Ind. Eng. Chem. Res., 41(13), 3282 (2002)
  12. Clarke MA, Bishnoi PR, Fluid Phase Equilib., 220(1), 21 (2004)
  13. Haghtalab A, Mazloumi SH, Fluid Phase Equilib., 280(1-2), 1 (2009)
  14. Chapman WG, Gubbins KE, Jackson G, Radosz M, Fluid Phase Equilib., 52, 31 (1989)
  15. Galindo A, Gil-Villegas A, Jackson G, Burgess AN, J. Phys. Chem. B, 103(46), 10272 (1999)
  16. Gil-Villegas A, Galindo A, Jackson G, Mol. Phys., 99, 531 (2001)
  17. Tan SP, Adidharma H, Radosz M, Ind. Eng. Chem. Res., 44(12), 4442 (2005)
  18. Adidharma H, Radosz M, Ind. Eng. Chem. Res., 37(11), 4453 (1998)
  19. Ji XY, Tan SP, Adidharma H, Radosz M, Ind. Eng. Chem. Res., 44(19), 7584 (2005)
  20. Tan SP, Ji XY, Adidharma H, Radosz M, J. Phys. Chem. B, 110(33), 16694 (2006)
  21. Ji XY, Tan SP, Adidharma H, Radosz M, J. Phys. Chem. B, 110(33), 16700 (2006)
  22. Liu ZP, Wang WC, Li YG, Fluid Phase Equilib., 227(2), 147 (2005)
  23. Chapman WG, Gubbins KE, Jackson G, Radosz M, Ind. Eng. Chem. Res., 29, 1709 (1990)
  24. Behzadi B, Patel BH, Galindo A, Ghotbi C, Fluid Phase Equilib., 236(1-2), 241 (2005)
  25. Zhao H, dos Ramos MC, McCabe C, J. Chem. Phys., 126 (2007)
  26. Zhao H, McCabe C, J. Chem. Phys., 125 (2006)
  27. Held C, Cameretti LF, Sadowski G, Fluid Phase Equilib., 270(1-2), 87 (2008)
  28. Cameretti LF, Sadowski G, Mollerup JM, Ind. Eng. Chem. Res., 44(9), 3355 (2005)
  29. Herzog S, Gross J, Arlt W, Fluid Phase Equilib., 297(1), 23 (2010)
  30. Shahriari R, Dehghani MR, Behzadi B, Ind. Eng. Chem. Res., 51(30), 10274 (2012)
  31. Huang SH, Radosz M, Ind. Eng. Chem. Res., 29, 2284 (1990)
  32. Huang SH, Radosz M, Ind. Eng. Chem. Res., 30, 1994 (1991)
  33. Wertheim MS, J. Stat. Phys., 35, 19 (1984)
  34. Wertheim MS, J. Stat. Phys., 35, 35 (1984)
  35. Wertheim MS, J. Stat. Phys., 42, 459 (1986)
  36. Harvey AH, Copeman TW, Prausnitz JM, J. Phys. Chem., 92, 6432 (1988)
  37. Maryott AA, Smith ER, Table of dielectric constants of pure liquids, NBSCircular 514, U.S. Government Printing Office, Washington, DC (1951)
  38. Valavi M, Dehghani MR, Shahriari R, Fluid Phase Equilib., 344, 92 (2013)
  39. Liu WB, Li YG, Lu JF, Ind. Eng. Chem. Res., 37(10), 4183 (1998)
  40. Lu JF, Yu YX, Li YG, Fluid Phase Equilib., 85, 81 (1993)
  41. Li Y, Tsinghua Science and Technology, 9, 444 (2004)
  42. Li Y, Tsinghua Science and Technology, 11, 181 (2006)
  43. Lee LL, The J. Chem. Phys., 78, 5270 (1983)
  44. Robinson RA, Stokes RH, Electrolyte solutions, Dover Publications (2002)
  45. Robinson RA, Harned HS, Chem. Rev., 28, 419 (1941)
  46. Novotny P, Sohnel O, J. Chem. Eng. Data, 33, 49 (1988)
  47. Lagarias JC, Reeds JA, Wright MH, Wright PE, SIAM J. on Optimization, 9, 112 (1998)
  48. Ji XY, Adidharma H, Ind. Eng. Chem. Res., 46(13), 4667 (2007)
  49. Chen SS, Kreglewski A, Berichte der Bunsengesellschaft fur physikalische Chemie, 81, 1048 (1977)