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, [email protected]
Deedar Nabi, [email protected]