This algorithm estimates environmentally relevant partitioning properties of nonpolar compounds based
on their GCxGC retention times, using the method of
Nabi et al., 2014, which is an updated and user-friendly version of the previous work by Arey et al., 2005.
The algorithm is programmed in Matlab.
To obtain the program,
download
the latest release as a zip file.
To learn how to use the program, see the
documentation
for users.
Please cite the following articles when publishing any results obtained by use of this software:
Nabi, D., Gros, J., Dimitriou-Christidis, P., Arey, J. S., "Mapping environmental partitioning
properties of nonpolar complex mixtures by use of GCxGC", Environ. Sci. Technol. 2014, vol 48, p 6814-6826.
Arey, J. S., Nelson, R. K., Xu, L., Reddy, C. M., "Using comprehensive two-dimensional
gas chromatography retention indices to estimate environmental partitioning properties
for a complete set of diesel fuel hydrocarbons", Anal. Chem. 2005, vol 77, p 7172-7182.
Author contacts:
J. Samuel Arey, arey@alum.mit.edu
Deedar Nabi, deedarnabi@gmail.com
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Algorithm to estimate partitioning properties of nonpolar compounds based on GCxGC retention times
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Algorithm to estimate partitioning properties of nonpolar compounds based on GCxGC retention times
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