A series expansion of the extended Debye-Hückel equation and application to linear prediction of stability constants
作者： J BAEZABAEZA , G RAMISRAMOS
DOI: 10.1016/0039-9140(96)01942-X
关键词: Thermodynamics 、 Computational chemistry 、 Linear prediction 、 Series (mathematics) 、 Chemistry 、 Ionic strength 、 Activity coefficient 、 Debye–Hückel equation 、 Series expansion 、 Equilibrium constant 、 Linear regression
摘要: The Debye-Huckel semiempirical extended equation is frequently used to calculate activity coefficients of chemical species and equilibrium constants at ionic strengths different from those in their experimental evaluation. A series expansion the proposed here checked with data taken literature. linear parameters yields a geometrical which converges rapidly that enables accurate calculation interpolated extrapolated by simple multiple regression without previous knowledge parameters.
elsevier.com
sci-hub.se 参考文章(12)
Santi Capone, Alessandro De Robertis, Concetta De Stefano, Silvio Sammartano, Rosario Scarcella, Ionic strength dependence of formation constants-X: proton activity coefficients at various temperatures and ionic strengths and their use in the study of complex equilibria. Talanta. ,vol. 34, pp. 593- 598 ,(1987) , 10.1016/0039-9140(87)80198-4
G. Anderegg, The investigation of complex formation equilibria at constant ionic strength. Talanta. ,vol. 40, pp. 243- 246 ,(1993) , 10.1016/0039-9140(93)80329-P
M.J. Citores, N. Etxebarria, L.A. Fernández, J.M. Madariaga, R. Cazallas, SPECA : a program for the calculation of thermodynamic equilibrium constants from spectrophotometric data Talanta. ,vol. 41, pp. 1637- 1644 ,(1994) , 10.1016/0039-9140(94)E0089-A
M Elizalde, Current theories in the calculation of activity coefficients-II. Specific interaction theories applied to some equilibria studies in solution chemistry. Talanta. ,vol. 42, pp. 395- 400 ,(1995) , 10.1016/0039-9140(95)01422-8
S. Fiol, I. Brandariz, M.Sastre de Vicente, The ionization constants of α-alanine in NaCl at 25°. Effect of the ionic strength based on three models Talanta. ,vol. 42, pp. 797- 801 ,(1995) , 10.1016/0039-9140(95)01484-S
G. H. Nancollas, M. B. Tomson, Guidelines for the determination of stability constants Pure and Applied Chemistry. ,vol. 54, pp. 2675- 2692 ,(1982) , 10.1351/PAC198254122675
P Linder, Correction of formation constants for ionic strength, from only one or two data points: An examination of the use of the extended Debye-Hückel equation. Talanta. ,vol. 29, pp. 377- 382 ,(1982) , 10.1016/0039-9140(82)80172-0
G Anderegg, The extrapolation of experimental equilibrium constant data to zero ionic strength: Critical review and new approach Talanta. ,vol. 41, pp. 1507- 1522 ,(1994) , 10.1016/0039-9140(94)E0061-U
Kenneth S. Pitzer, Guillermo Mayorga, Thermodynamics of electrolytes. II. Activity and osmotic coefficients for strong electrolytes with one or both ions univalent The Journal of Physical Chemistry. ,vol. 77, pp. 2300- 2308 ,(1973) , 10.1021/J100638A009
David Kincaid, Ward Ward Cheney, Numerical mathematics and computing ,(1980)