A Compact Computer Code for Ion Speciation in Aqueous Solutions Based on a Robust Algorithm
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概要
- 論文の詳細を見る
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 CO_2 pressure 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.
- 社団法人日本土壌肥料学会の論文
著者
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SEKI Hiroshi
Department of Orthopaedics, Shinshu University School of Medicine
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Wada Shin-ichiro
Department Of Agricultural Chemistry Kyushu University
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Wada Shin-ichiro
Department Of Agricultural Chemistry
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Seki Hiroshi
Department Of Agricultural Chemistry Kyushu University
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