A PC COMPATIBLE COMPUTER-PROGRAM FOR THE CALCULATION OF EQUILIBRIUM-CONSTANTS BY THE SIMULTANEOUS PROCESSING OF DIFFERENT SETS OF EXPERIMENTAL RESULTS

Citation
Vi. Vetrogon et al., A PC COMPATIBLE COMPUTER-PROGRAM FOR THE CALCULATION OF EQUILIBRIUM-CONSTANTS BY THE SIMULTANEOUS PROCESSING OF DIFFERENT SETS OF EXPERIMENTAL RESULTS, Talanta, 41(12), 1994, pp. 2105-2112
Citations number
27
Journal title
Talanta
ISSN journal
00399140 → ACNP
Volume
41
Issue
12
Year of publication
1994
Pages
2105 - 2112
Database
ISI
SICI code
0039-9140(1994)41:12<2105:APCCFT>2.0.ZU;2-A
Abstract
A new PC compatible computer program SIRKO for the calculation of the equilibrium constants by means of the simultaneous processing of diffe rent experimental data from various techniques is given. This program is characterized by the application of a universal response function, which allows many different physicochemical methods to be used to stud y equilibria without any modification of the program. It is also possi ble to refine additional parameters (electrode parameters, initial ana lytic concentration, etc). We have used the least-squares method with the weightings calculated according to the error propagation rule taki ng into account all independent variables. To minimize the function, s ingular Jacobian decomposition is applied. This allows control of its range and forms a set of parameters, determined from the experimental data.