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

被引:84
作者
VETROGON, VI [1 ]
LUKYANENKO, NG [1 ]
SCHWINGWEILL, MJ [1 ]
ARNAUDNEU, F [1 ]
机构
[1] EHICS,CHIM PHYS LAB,CNRS,URA 405,F-67000 STRASBOURG,FRANCE
关键词
D O I
10.1016/0039-9140(94)00187-1
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
A new PC compatible computer program SIRKO for the calculation of the equilibrium constants by means of the simultaneous processing of different 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 study equilibria without any modification of the program. It is also possible to refine additional parameters (electrode parameters, initial analytic concentration, etc). We have used the least-squares method with the weightings calculated according to the error propagation rule taking into account all independent variables. To minimize the function, singular Jacobian decomposition is applied. This allows control of its range and forms a set of parameters, determined from the experimental data.
引用
收藏
页码:2105 / 2112
页数:8
相关论文
共 27 条
  • [1] DAMPED NONLINEAR LEAST-SQUARES COMPUTER-PROGRAM (DALSFEK) FOR EVALUATION OF EQUILIBRIUM-CONSTANTS FROM SPECTROPHOTOMETRIC AND POTENTIOMETRIC DATA
    ALCOCK, RM
    HARTLEY, FR
    ROGERS, DE
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1978, (02): : 115 - 123
  • [2] ARNAUDNEU F, UNPUB
  • [3] ARNAUDNEU F, IN PRESS J PHYS CHEM
  • [4] BERIAC F, 1985, J MEDIEVAL HIST, V11, P245, DOI 10.1016/0304-4181(85)90027-2
  • [5] BORISOVA AP, 1987, VESTN MOSK U KHIM, V28, P211
  • [6] BUGAEVSKII AA, 1984, DOKL AKAD NAUK SSSR+, V274, P94
  • [7] BUGAEVSKY AA, 1980, MATH CHEM THERMODYNA, P36
  • [8] A CRITICAL COMPARISON OF COMPUTER-PROGRAMS FOR THE POTENTIOMETRIC DETERMINATION OF STABILITY-CONSTANTS
    CASASSAS, E
    TAULER, R
    FILELLA, M
    [J]. ANALYTICA CHIMICA ACTA, 1986, 191 : 399 - 411
  • [9] FOURNAISE R, 1987, TALANTA, V29, P385
  • [10] SUPERQUAD - AN IMPROVED GENERAL PROGRAM FOR COMPUTATION OF FORMATION-CONSTANTS FROM POTENTIOMETRIC DATA
    GANS, P
    SABATINI, A
    VACCA, A
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1985, (06): : 1195 - 1200