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| SHORT COMMUNICATION A PROGRAM FOR THE SIMULTANEOUS POTENTIOMETRIC DETERMINATION OF PROTONATION CONSTANTS AND ELECTRODE CALIBRATION PARAMETERS | |
| 引用本文： | J.J.BAEZA,G.RAMIS,C.MONGAY. SHORT COMMUNICATION A PROGRAM FOR THE SIMULTANEOUS POTENTIOMETRIC DETERMINATION OF PROTONATION CONSTANTS AND ELECTRODE CALIBRATION PARAMETERS[J]. 地理学报(英文版), 1988, 0(Z1) |
| 作者姓名： | J.J.BAEZA G.RAMIS C.MONGAY |
| 作者单位： | Department of Analytical Chemistry Faculty of Chemistry，University of Valencia，E-46100 Burjassot，Spain，Department of Analytical Chemistry，Faculty of Chemistry，University of Valencia，E-46100 Burjassot，Spain，Department of Analytical Chemistry，Faculty of Chemistry，University of Valencia，E-46100 Burjassot，Spain |
| 摘 要： | A program for the potentiometric determination of the protonation constants of mononuclear polyproticsubstances is described.A maximum of twelve parameters can be determined simultaneously,includingup to six protonation constants,four electrode calibration parameters,the protolysis constant of thesolvent and the titrant concentration.Optimization is carried out by using the non-simplifiedNewton-Raphson method,which is potentiated by the Marquardt algorithm and a distance speeding-upcoefficient.A direct search method is also used to improve the initial set of values.Variances arecalculated very accurately,since the real Hessian function is used.Statistical weights and ionic strengthcorrections are also considered,The program has been tested by using simulated titration curves ofpolyprotic acids with close constants. |
SHORT COMMUNICATION A PROGRAM FOR THE SIMULTANEOUS POTENTIOMETRIC DETERMINATION OF PROTONATION CONSTANTS AND ELECTRODE CALIBRATION PARAMETERS |
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| J.J.BAEZA G.RAMIS C.MONGAY. SHORT COMMUNICATION A PROGRAM FOR THE SIMULTANEOUS POTENTIOMETRIC DETERMINATION OF PROTONATION CONSTANTS AND ELECTRODE CALIBRATION PARAMETERS[J]. Journal of Geographical Sciences, 1988, 0(Z1) | |
| Authors: | J.J.BAEZA G.RAMIS C.MONGAY |
| Affiliation: | J.J.BAEZA G.RAMIS C.MONGAY Department of Analytical Chemistry,Faculty of Chemistry,University of Valenci,E- Burjassot,Spain |
| Abstract: | A program for the potentiometric determination of the protonation constants of mononuclear polyprotic substances is described.A maximum of twelve parameters can be determined simultaneously,including up to six protonation constants,four electrode calibration parameters,the protolysis constant of the solvent and the titrant concentration.Optimization is carried out by using the non-simplified Newton-Raphson method,which is potentiated by the Marquardt algorithm and a distance speeding-up coefficient.A direct search method is also used to improve the initial set of values.Variances are calculated very accurately,since the real Hessian function is used.Statistical weights and ionic strength corrections are also considered,The program has been tested by using simulated titration curves of polyprotic acids with close constants. |
| Keywords: | Determination of constants Optimization methods |
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