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

Shin-Ichiro Wada, Hiroshi Seki

研究成果: ジャーナルへの寄稿記事

10 引用 (Scopus)

抄録

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.

元の言語英語
ページ(範囲)165-172
ページ数8
ジャーナルSoil Science and Plant Nutrition
40
発行部数1
DOI
出版物ステータス出版済み - 1 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

これを引用

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

:: Soil Science and Plant Nutrition, 巻 40, 番号 1, 01.01.1994, p. 165-172.

研究成果: ジャーナルへの寄稿記事

Wada, Shin-Ichiro ; Seki, Hiroshi. / A compact computer code for ion speciation in aqueous solutions based on a robust algorithm. :: Soil Science and Plant Nutrition. 1994 ; 巻 40, 番号 1. pp. 165-172.
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