A compact computer code for ion speciation in aqueous solutions based on a robust algorithm

Shin-Ichiro Wada, Hiroshi Seki

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

We developed a compact computer code for calculating ion speciation in aqueous solutions based on an algorithm reported by Leung et al. (Talanta, 35, 713– 718 (1988)). The program reads a set of analytical data of pH, total component concentrations, and the atmospheric CO2pressure and iteratively calculates activities and concentrations of the components and complexes. In the present version of the program, only 14 components and 41 derived species are considered, but the number and kind of species can easily be changed simply by rewriting a file for inputting the number and names of species, stoichiometric coefficients of complexation reactions, and their equilibrium constants. The solution converged within a relative error of 0.01% usually after 8 iterations.

Original languageEnglish
Pages (from-to)165-172
Number of pages8
JournalSoil Science and Plant Nutrition
Volume40
Issue number1
DOIs
Publication statusPublished - Jan 1 1994

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aqueous solutions
aqueous solution
ions
ion
complexation
code
programme

All Science Journal Classification (ASJC) codes

  • Soil Science
  • Plant Science

Cite this

A compact computer code for ion speciation in aqueous solutions based on a robust algorithm. / Wada, Shin-Ichiro; Seki, Hiroshi.

In: Soil Science and Plant Nutrition, Vol. 40, No. 1, 01.01.1994, p. 165-172.

Research output: Contribution to journalArticle

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