Journal ArticleDOI
Computer calculation of equilibrium constants of species present in mixtures of metal ions and complexing agents.
TLDR
The program, which employs the non-linear least-squares method, may be used to calculate equilibrium constants for hydrolysed metal ions, protonated ligands, and simple, Protonated, Hydrolysed, polynuclear, and mixed complexes.About:
This article is published in Talanta.The article was published on 1968-12-01. It has received 297 citations till now. The article focuses on the topics: Equilibrium constant & Metal ions in aqueous solution.read more
Citations
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TITFIT, a comprehensive program for numerical treatment of potentiometric data by using analytical derivatives and automatically optimized subroutines with the Newton-Gauss-Marquardt algorithm.
TL;DR: TITFIT, a computer program written in HP-enhanced BASIC is able to fit potentiometric titration curves with up to 400 points by using the Newton-Gauss-Marquardt technique supplemented by the use of analytical derivatives.
Journal ArticleDOI
Anion Coreceptor Molecules. Linear Molecular Recognition in the Selective Binding of Dicarboxylate Substrates by Ditopic Polyammonium Macrocycles
TL;DR: Three macrocyclic hexaamines 1, 2, and 4, and the acyclic tetraamine 5 and hexaamine 6 have been synthesized, indicating a marked Macrocyclic effect on both stability and selectivity of binding, i.e. on recognition.
Journal ArticleDOI
Complex formation of zinc and cadmium with glutathione.
D.D. Perrin,Ann E. Watt +1 more
TL;DR: Stability constants of zinc- and cadmium- glutathione complexes have been obtained from pH titration data for solutions at 37° and 0.15 M in KNO3 and it is suggested that ionization of the peptide linkage can occur on complex formation.
Journal ArticleDOI
The use of glass electrodes for the determination of formation constants--II: Simulation of titration data.
TL;DR: Methods for simulating titration data, including various types of corrections for changes in activity, liquid-junction potential and ion-selectivity of electrodes are described, which form the basis of a new library of computer programs, called ESTA (Equilibrium Simulation for Titration Analysis).
Journal ArticleDOI
A general method for the determination of the stoichiometry of unknown species in multicomponent systems from physicochemical measurements
Jaroslaw Kostrowicki,Adam Liwo +1 more
TL;DR: Problems of determinability of an equilibrium model, of deciding on the most probable model, and of estimating the number of species present are discussed.
References
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Journal ArticleDOI
Computer calculation of equilibrium concentrations in mixtures of metal ions and complexing species.
D.D. Perrin,I.G. Sayce +1 more
TL;DR: A method is described for calculating equilibrium concentrations of all species in multi-metal-multi-ligand mixtures from the pH of the solution, the total concentration of each metal and each complexing agent, and the relevant equilibrium constants (pK(a) values and stability constants).
Journal ArticleDOI
High-speed Computers as a Supplement to Graphical Methods. III. Twist Matrix Methods for Minimizing the Error-square Sum in Problems with Many Unknown Constants.
Journal ArticleDOI
High-speed Computers as Supplement to Graphical Methods. I. Functional Behavior of the Error Square Sum.
Journal ArticleDOI
Rigorous Least Squares Adjustment: Applications to Some Non-linear Equations, II
TL;DR: The main purpose of as mentioned in this paper is to apply the general theory of least squares adjustment to problems in physical chemistry, and apply it to the problem of least square adjustment in the setting of physical chemistry.
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Computer calculation of equilibrium concentrations in mixtures of metal ions and complexing species.
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