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Die Berechnung komplexer Absorptionsgleichgewichte ionogener Substanzen in wäßrigen Lösungsmitteln mit Hilfe eines Reaktionsmodells

The calculation of complex absorption equilibria of ionogen substances in aqueous solvents by means of a reaction model

  • Anorganische Und Physikalische Chemie
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Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Abstract

The solubility of ionogen substances in water and aqueous ionic solutions is important for calculation of absorption processes.

Aqueous solutions with complex reaction systems behave themselves extremely nonideal. In simple cases equilibria can be determined with the concept of nonideal thermodynamics. The model used in this work is based on ideal calculation of reaction equilibria and gas solubility. The model parameters (equilibrium constants andHenry constants) for the systems SO2-H2O,MEA-H2S-H2O,DEA-H2S-H2O andMEA-CO2-H2O are computed by regression of experimental data.

Equilibrium reactions are selected according toBrinkley's method. The selection of the reacting species has decisive influence on the accuracy of the data fitting. Data regression is done numerically and leads to the formulation of nonlinear systems of equations, which have to be solved for each data point. This solutions are performed in an inner loop. By using the maximum-likelihood-principle the model parameters are optimized in the superior regression loop. Experimental data for the regression are the partial pressure and the total concentration of gas in the liquid phase. The used model is able to fit these data satisfactoryly.

The model parameters, which are calculated from simultaneous data regression for different temperatures, ensure a simple correlation ofvan't Hoff. However, for similar reactions equilibria in different reaction systems, it is impossible to compute the same values for the equilibrium constants.

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Literatur

  1. Harned H. S., Owen B. B., The Physical Chemistry of Electrolyte Solutions, 3. Aufl. New York: Reinhold. 1958.

    Google Scholar 

  2. Van Zeggeren F., Storey H., The Computation of Chemical Equilibrium. Cambridge: University Press. 1970.

    Google Scholar 

  3. Prausnitz J. M., Gmehling J., Thermodynamik der Phasengleichgewichte. Mainz: Krauskopf. 1980.

    Google Scholar 

  4. Zeleznik F. J., Gordon S., Ind. Eng. Chem.60, 27 (1968).

    Google Scholar 

  5. Brinkley S. R. Jr., J. Chem. Ph.14, 563 (1946).

    Google Scholar 

  6. Brinkley S. R. Jr., J. Chem. Ph.15, 107 (1947).

    Google Scholar 

  7. Pitzer K. S., J. Phys. Chem.77, 268 (1973).

    Google Scholar 

  8. Pitzer K. S., Mayorga G., J. Phys. Chem.77, 2300 (1973).

    Google Scholar 

  9. Pitzer K. S., Mayorga G., J. Sol. Chem.3, 538 (1974).

    Google Scholar 

  10. Pitzer K. S., Kim J. J., J. Amer. Chem. Soc.96, 5701 (1975).

    Google Scholar 

  11. Pitzer K. S., Silvester L. F., J. Amer. Chem. Soc.99, 4930 (1977).

    Google Scholar 

  12. Silvester L. F., Pitzer K. S., J. Sol. Chem.7, 327 (1978).

    Google Scholar 

  13. Pitzer K. S., J. Sol. Chem.4, 248 (1975).

    Google Scholar 

  14. Pitzer K. S., Silvester L. F., J. Phys. Chem.82, 1239 (1978).

    Google Scholar 

  15. Pitzer K. S., Proceedings of 2nd World Congress of Chemical Engineering, Montreal/Can. 10. 1981, Vol. V.

  16. Renon H., Prausnitz J. M., AIChE J.14, 135 (1968).

    Google Scholar 

  17. Cruz J. L., Renon H., AIChE J.24, 817 (1978).

    Google Scholar 

  18. Cruz J. L., Renon H., IEC Fundamentals18, 168 (1979).

    Google Scholar 

  19. Chen C. C., Bitt H. I., Boston J. F., Evans L. A., AIChE J.25, 820 (1979).

    Google Scholar 

  20. Chen C. C., Ph.D. Thesis, Massachusetts Institute of Technology, 1980.

  21. Meissner H. P., Kusik C. L., IEC Proc. Des. Dev.12, 205 (1973).

    Google Scholar 

  22. Meissner H. P.,Manning M. P., Proceedings of 2nd World Congress of Chemical Engineering, Montreal/Can. 10. 1981, Vol. V.

  23. Meissner H. P., Kusik C. L., IEC Proc. Des. Dev.18, 1979 (1979).

    Google Scholar 

  24. Bromley L. A., AIChE J.19, 313 (1973).

    Google Scholar 

  25. Ray P., Bromley L. A., AIChE J.21, 600 (1975).

    Google Scholar 

  26. NAG-Library, Rechenzentrum Graz, 1978.

  27. Kreyszig E., Advanced Engineering Mathematics. New York-London-Sydney: J. Wiley. 1967.

    Google Scholar 

  28. Prausnitz J. M., Anderson T. F., Grens E. H., Eckert C. A., Hsieh R., O'Connell J. P., Computer Calculation for MulticomponentV—L andL—L Equilibrium. Englewood Cliffs, N. J.: Prentice-Hall. 1980.

    Google Scholar 

  29. Frank W., Mathematische Grundlagen der Optimierung. München-Wien: R. Oldenbourg. 1969.

    Google Scholar 

  30. Hoffmann U., Hofmann H., Einführung in die Optimierung. Weinheim/Bergstr.: Verlag Chemie. 1971.

    Google Scholar 

  31. Maass C. E., Maass O., J. Amer. Chem. Soc.50, 1352 (1928).

    Google Scholar 

  32. Campbell W. B., Maass O., Can. J. Res.2, 42 (1930).

    Google Scholar 

  33. Johnstone H. F., Leppla P. W., J. Amer. Chem. Soc.56, 2233 (1934).

    Google Scholar 

  34. Johnstone H. F., Ind. Eng. Chem.29, 1396 (1937).

    Google Scholar 

  35. Johnstone H. F., Read H. J., Blankmeyer H. C., Ind. Eng. Chem.30, 101 (1938).

    Google Scholar 

  36. Johnstone H. F., Ind. Eng. Chem.27, 587 (1935).

    Google Scholar 

  37. Johnstone H. F., Keyes B., Ind. Eng. Chem.27, 659 (1935).

    Google Scholar 

  38. Beuschlein W. L., Simenson L. O., J. Amer. Chem. Soc.56, 609 (1934).

    Google Scholar 

  39. Rabe A. E., Harris J. H. J. Chem. Eng. Data8, 333 (1963).

    Google Scholar 

  40. Hales J. M., Sutter S. L., Atm. Env. Pergamon Press7, 996 (1973).

    Google Scholar 

  41. Spleeding D. J., Brimblecombe P., Atm. Env. Pergamon Press8, 1063 (1974).

    Google Scholar 

  42. Plummer A. W., Chem. Eng. Prog.7, 369 (1960).

    Google Scholar 

  43. Davis D. S., Chem. Met. Eng.39, 615 (1932).

    Google Scholar 

  44. Spall B. C., Can J. Chem. Eng.4, 79 (1963).

    Google Scholar 

  45. Reed R. M., Updegraff N. C., Ind. Eng. Chem.42, 2269 (1950).

    Google Scholar 

  46. Danckwerts P. V.,McNeil K. M., Trans. Inst. Chem. Engrs45, T 32 (1967).

  47. Kent R. L., Eisenberg B., Hydrocarbon Processing55, 87 (1976).

    Google Scholar 

  48. Chen C. C., Ng A., Hydrocarbon Processing59, 122 (1980).

    Google Scholar 

  49. Muhlbauer G., Monagham P. R., Oil, Gas J., April29, 139 (1957).

    Google Scholar 

  50. Perry C. R., Proceedings of 57th Annual GPA Convention, New Orleans, Louisiana, März 1978.

  51. Smith R. F., Younger A. H., Hydrocarbon Processing51, 98 (1972).

    Google Scholar 

  52. Scheirman W. L., Hydrocarbon Processing52, 95 (1973).

    Google Scholar 

  53. Smith R. F., Younger A. H., Hydrocarbon Processing51, 98 (1972).

    Google Scholar 

  54. Rosen W. R., Oil, Gas J., March18, 75 (1968).

    Google Scholar 

  55. Jones J. H., Froning H. R., Claytor E. E. Jr., Pan. Am. Petrol Corp.4, 85 (1959).

    Google Scholar 

  56. Isaacs E. E., Otto F. D., Mather A. E., J. Chem. Eng. Data25, 118 (1980).

    Google Scholar 

  57. Atwood K., Arnold M. R., Kindrick P. C., Ind. Eng. Chem.49, 1439 (1957).

    Google Scholar 

  58. Reed R. M., Wood W. R., Trans Amer. Inst. Chem. Engr.32, 27 (1941).

    Google Scholar 

  59. Shapiro N. Z., Shapley L. S., J. Soc. Indust. Appl. Math.13, 353 (1965).

    Google Scholar 

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Authors and Affiliations

  1. Institut für Verfahrenstechnik, Technische Universität Graz, A-8010, Graz, Österreich

    Hans Huemer, Friedrich J. Zitz & Franz Moser

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  1. Hans Huemer
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  2. Friedrich J. Zitz
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  3. Franz Moser
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Huemer, H., Zitz, F.J. & Moser, F. Die Berechnung komplexer Absorptionsgleichgewichte ionogener Substanzen in wäßrigen Lösungsmitteln mit Hilfe eines Reaktionsmodells. Monatsh Chem 113, 1367–1392 (1982). https://doi.org/10.1007/BF00808937

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