Pure Appl. Chem., 2011, Vol. 83, No. 6, pp. 1243-1254
http://dx.doi.org/10.1351/PAC-CON-10-09-36
Published online 2011-05-04
A Gibbs energy minimization method for constrained and partial equilibria
References
- 1. W. R. Smith, R. W. Missen. Chemical Reaction Equilibrium Analysis: Theory and Algorithms, Krieger, Malabar, FL (1991).
- 2. S. Gordon, B. J. McBride. Computer Program for Calculation of Complex Equilibrium Compositions and Applications, NASA Reference Publication 1311 (1994).
- 3. G. Acta Chem. Scand. 25, 2651 (1971). ( . http://dx.doi.org/10.3891/acta.chem.scand.25-2651)
- 4. M. Bull. Alloy Phase Diagrams 2, 265 (1981). ( . http://dx.doi.org/10.1007/BF02868269)
- 5. L. Kaufman, H. Bernstein. Computer Calculation of Phase Diagrams, Academic Press, New York (1970).
- 6. K. Hack (Ed.). The SGTE Casebook: Thermodynamics at Work, 2nd ed., p. 14, Woodhead, Cambridge (2008).
- 7. S. M. Walas. Phase Equilibria in Chemical Engineering, Butterworth, Stoneham, MA (1985).
- 8. A. L. Fluid Phase Equilib. 218, 15 (2004). ( , E. D. Sloan. http://dx.doi.org/10.1016/j.fluid.2003.08.005)
- 9. D. V. Comput. Chem. Eng. 26, 1703 (2002). ( , S. Gomez, E. Luna. http://dx.doi.org/10.1016/S0098-1354(02)00144-8)
- 10. E. J. Solution Chem. 28, 721 (1998). ( , G. Eriksson. http://dx.doi.org/10.1023/A:1021768011887)
- 11. E. Pure Appl. Chem. 74, 1831 (2002). ( . http://dx.doi.org/10.1351/pac200274101831)
- 12. J. Nordic Pulp Paper Res. J. 16, 24 (2001). ( , L. Wiklund, L.-O. Öhman. http://dx.doi.org/10.3183/NPPRJ-2001-16-01-p024-032)
- 13. P. J. Solution Chem. 31, 627 (2002). ( , R. Pajarre, H. Pakarinen. http://dx.doi.org/10.1023/A:1020201909118)
- 14. P. J. Colloid Interface Sci. 328, 248 (2008). ( , P. Persson, L.-O. Öhman. http://dx.doi.org/10.1016/j.jcis.2008.09.027)
- 15. M. J. Electrochem. Soc. 139, 484 (1992). ( , J. Vuorisalo. http://dx.doi.org/10.1149/1.2069243)
- 16. R. A. J. Phys. Chem. 93, 3299 (1989). ( . http://dx.doi.org/10.1021/j100345a081)
- 17. J. C. Combust. Flame 17, 237 (1971). ( , D. Gillespie. http://dx.doi.org/10.1016/S0010-2180(71)80166-9)
- 18. J. C. Prog. Energy Combust. Sci. 16, 125 (1990). ( . http://dx.doi.org/10.1016/0360-1285(90)90046-6)
- 19. P. Comput. Chem. Eng. 17, 1157 (1993). ( . http://dx.doi.org/10.1016/0098-1354(93)80096-6)
- 20. P. CALPHAD 30, 18 (2006). ( , R. Pajarre. http://dx.doi.org/10.1016/j.calphad.2005.11.007)
- 21. R. Comput.-Aided Chem. Eng. 25, 883 (2008). ( , P. Blomberg, P. Koukkari. http://dx.doi.org/10.1016/S1570-7946(08)80153-8)
- 22. P. B. A. Math. Biosci. 220, 81 (2009). ( , P. Koukkari. http://dx.doi.org/10.1016/j.mbs.2009.04.004)
- 23. R. Pure Appl. Chem. 73, 1349 (2001). ( . http://dx.doi.org/10.1351/pac200173081349)
- 24. E. A. Guggenheim. Thermodynamics, p. 335, North-Holland, Amsterdam (1977).
- 25. P. Int. J. Mater. Res. 98, 926 (2007). , R. Pajarre, K. Hack.
- 26. R. CALPHAD 30, 196 (2006). ( , P. Koukkari, T. Tanaka, Y. Lee. http://dx.doi.org/10.1016/j.calphad.2005.08.003)
- 27. E. T. Turkdogan. Physical Chemistry of High-Temperature Technology, p. 96, Academic Press, London (1980).
- 28. J. A. V. Proc. R. Soc., London, A 135, 348 (1932). .
- 29. J. C. J. Chim. Phys. 70, 1290 (1973). , N. Eustathopoulos, P. Desse.
- 30. G. Z. Phys. Chem. 211, 1 (1959). .
- 31. T. Z. Metallkunde 87, 380 (1996). , K. Hack, T. Ida, S. Hara.
- 32. R. J. Colloid Interface Sci. 337, 39 (2009). ( , P. Koukkari. http://dx.doi.org/10.1016/j.jcis.2009.05.023)
- 33. R. Pajarre, P. Koukkari, T. Tanaka. To be published.
- 34. P. Koukkari, R. Pajarre, E. Räsänen. In Chemical Thermodynamics for Industry, T. M. Letcher (Ed.), pp. 23–32, Royal Society of Chemistry, Cambridge, UK (2004).
- 35. R. J. Mol. Liq. 125, 58 (2006). ( , P. Koukkari, E. Räsänen. http://dx.doi.org/10.1016/j.molliq.2005.11.016)
- 36. M. J. Pulp Paper Sci. 22, J332 (1996). , A. M. Scallan.
- 37. P. Pure Appl. Chem. 83, 1063 (2011). ( , R. Pajarre, P. Blomberg. http://dx.doi.org/10.1351/PAC-CON-10-09-09)
- 38. P. Fluid Phase Equilib. 136, 345 (1997). ( , I. Laukkanen, S. Liukkonen. http://dx.doi.org/10.1016/S0378-3812(97)00123-4)
- 39. M. Combust. Flame 156, 1871 (2009). ( , S. Ugarte, H. Metghalchi, J. C. Keck. http://dx.doi.org/10.1016/j.combustflame.2009.05.013)
- 40. R. Gani, T. S. Jepsen, E. S. Pérez-Cisneros Comput. Chem. Eng. 22, Suppl., S363 (1998).
- 41. G. Fluid Phase Equilib. 116, 39 (1996). ( . http://dx.doi.org/10.1016/0378-3812(95)02870-6)
- 42. A. Theor. Found. Chem. Eng. 43, 129 (2009). ( , M. Toikka, Yu. Pisarenko, L. Serafimov. http://dx.doi.org/10.1134/S004057950902002X)
- 43. A. Roine, Outokumpu. HSC Chemistry® for Windows, Version 4.1 (1999).
- 44. A. C. Fluid Phase Equilib. 222–223, 239 (2004). ( , J. L. Oscarson, R. L. Rowley, W. V. Wilding. http://dx.doi.org/10.1016/j.fluid.2004.06.043)
- 45. D. J. Chem. Thermodyn. 9, 735 (1977). ( , J. H. Ellender, C. H. S. Sprake, R. Townsend. http://dx.doi.org/10.1016/0021-9614(77)90017-9)
- 46. P. Fluid Phase Equilib. 112, 249 (1995). ( , K. Holzapfel, J. Oprzynski, F. Kohler, W. Poot, T. W. de Loos. http://dx.doi.org/10.1016/0378-3812(95)02798-J)
- 47. H. S. J. Chem. Eng. Data 33, 157 (1988). ( , S. I. Sandler. http://dx.doi.org/10.1021/je00052a030)
- 48. B. E. Poling, J. M. Prausnitz, J. M. O’Connell. Properties of Gases and Liquids, 5th ed., McGraw-Hill (2001).
- 49. P. Comput. Chem. Eng. 30, 1189 (2006). ( , R. Pajarre. http://dx.doi.org/10.1016/j.compchemeng.2006.03.001)