This function extracts computational results for aqueous species at each step of reaction progress in an EQ6 output file. The results are written to a comma-separated value file that can be read by other programs.
Usage
eqdata(file, species, prop = "log act")
Arguments
file
character, path to EQ6 output file.
species
character, name(s) of aqueous species.
prop
character, property to get.
Value
Creates a comma-separated value file in the working directory, and invisibly returns the same data.
Details
This function can be used to extract values from EQ6 (Wolery et al., 1990) output files and save them in a format readable by spreadsheets. It is independent of other functions in CHNOSZ. For more information, see the document in ../doc/eqdata.pdf.
References
Wolery, T. J., Jackson, K. J., Bourcier, W. L., Bruton, C. J., Viani, B. E., Knauss, K. G. and Delany, J. M., 1990. Current status of the EQ3/6 software package for geochemical modeling. ACS Symp. Ser., 416, 104-116. http://dx.doi.org/10.1021/bk-1990-0416.ch008