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http://nopr.niscpr.res.in/handle/123456789/46680| Title: | Lagrange interpolation method for the calculation of stability constants of complex equilibria in solution phase |
| Authors: | Rao, S V V Satyanarayana Babu, A Ravindra Rao, G Nageswara Satyanarayana, A Rao, R Sambasiva |
| Issue Date: | Apr-1989 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | A numerical (Lagrange) interpolation procedure has been used for calculating the stepwise formation constants of overlapping and non-overlapping equilibria in aqueous and aquo-organic mixtures. In order to test the validity of the procedure-for chemical equilibria, proton-ligand complexes of various complexities have been simulated using a computer program (subroutine BARN). Error-free stability constants are obtained with the interpolation procedure for non-overlapping equilibria. The apparent deviations observed in the case of overlapping equilibria have been rationalized on the basis of a new additivity model for correction terms. A third order polynomial is found to be sufficient for proton-ligand equilibria of chemical interest. The procedure is carried out using a computer program (Fortran 77 subroutine LANIN). |
| Page(s): | 292-297 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.28A(04) [April 1989] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 28A(4) 292-297.pdf | 2.96 MB | Adobe PDF | View/Open |
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