Activity corrections for ionization constants in defined media.
Correcting ionization constants for activity effects can have a larger impact on some ionic species than correcting for temperature effects. Computer trials compared two pH calculation methods, and showed that an interpolation algorithm found a precise charge balance quickly but was unstable under certain conditions, while a slower pH search method was stable under all test conditions. The optimal calculation strategy was a hybrid of these two approaches. The hybrid calculation method is stable, quick, includes activity and temperature corrections, does not need kinetic rate constants, allows all known ionic species to be included, and allows for easy addition of new chemical species.
Smith
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Department of Biological Systems Engineering, Washington State University, Pullman 99164, USA. simon_smith@wsu.edu
Chen
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D000465:Algorithms; D000693:Anaerobiosis; D052918:Environmental Restoration and Remediation; D006863:Hydrogen-Ion Concentration; D007477:Ions; D013696:Temperature; D014873:Water Pollutants
D007477:Ions; D014873:Water Pollutants