GCxGC MLT estimation algorithm

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. The algorithm then draws mass loss tables (MLTs) as defined by Arey et al. (2007). MLTs display the mass losses in a volatility versus (aqueous) solubility space.

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., Reddy, C. M., "Disentangling oil weathering using GCxGC 1. Chromatogram analysis", Environ. Sci. Technol. 2007, vol 41, p 5738-5746.

Author contacts:
J. Samuel Arey, arey@alum.mit.edu
Deedar Nabi, deedarnabi@gmail.com
Jonas Gros, gros.jonas@gmail.com