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, [email protected]
Deedar Nabi, [email protected]
Jonas Gros, [email protected]
jsarey / gcxgc-mlt Goto Github PK
View Code? Open in Web Editor NEWAlgorithm for creating Mass Loss Tables from chemical samples analyzed by GCxGC
License: Other