Literature DB >> 18960228

High-speed computers as a supplement to graphical methods--V. HALTAFALL, a general program for calculating the composition of equilibrium mixtures.

N Ingri1, W Kakołowicz, L G Sillén, B Warnqvist.   

Abstract

A computer program, HALTAFALL, is described which calculates the equilibrium concentrations of the species in mixtures of any number of components, which can form any number of complexes and solid phases, provided concentrations (or partial pressures) can be used in the equilibrium calculations. Of course, the equilibrium constants must be known and enough data be given about the gross composition. Some applications are indicated. The flexible input rules make it applicable to a variety of problems. From the input information, the program itself devises an efficient plan for solving the simultaneous equations. The program also provides an efficient means of finding out which of many possible solid phases can actually appear in a certain equilibrium mixture.

Year:  1967        PMID: 18960228     DOI: 10.1016/0039-9140(67)80203-0

Source DB:  PubMed          Journal:  Talanta        ISSN: 0039-9140            Impact factor:   6.057


  5 in total

1.  The pH-dependent reactions in the sonochemical synthesis of luminescent fluorides: The quest for the formation of KY3F10 crystal phases.

Authors:  Pablo Serna-Gallén; Héctor Beltrán-Mir; Eloísa Cordoncillo
Journal:  Ultrason Sonochem       Date:  2022-06-06       Impact factor: 9.336

2.  Computer-based approach to chelation therapy: a theoretical study of some chelating agents for the selective removal of toxic metal ions from plasma.

Authors:  R P Agarwal; D D Perrin
Journal:  Agents Actions       Date:  1976-09

3.  Coordination Reactions and Noncovalent Interactions of Polyamines with Nucleotides in Binary Systems and with Nucleotides and Copper(II) Ion in Ternary Systems.

Authors:  Lechoslaw Lomozik; Anna Gasowska; Grzegorz Krzysko; Romualda Bregier-Jarzebowska
Journal:  Bioinorg Chem Appl       Date:  2010-09-05       Impact factor: 7.778

4.  Stability and Solution Structure of Binary and Ternary Cu(II) Complexes with l-Glutamic Acid and Diamines as Well as Adducts in Metal-Free Systems in Aqueous Solution.

Authors:  Romualda Bregier-Jarzebowska
Journal:  J Solution Chem       Date:  2014-11-26       Impact factor: 1.677

5.  Complexes of Cu(II) ions and noncovalent interactions in systems with L-aspartic acid and cytidine-5'-monophosphate.

Authors:  Romualda Bregier-Jarzebowska; Anna Gasowska; Lechosław Lomozik
Journal:  Bioinorg Chem Appl       Date:  2008       Impact factor: 7.778

  5 in total

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