University of Natural Resources and Life Sciences, Vienna (BOKU) - Research portal
Selected Publication:
Clark Ehlers, GA; Forrester, ST; Scherr, KE; Loibner, AP; Janik, LJ.
(2010):
Influence of the nature of soil organic matter on the sorption behaviour of pentadecane as determined by PLS analysis of mid-infrared DRIFT and solid-state 13C NMR spectra.
Environ Pollut. 2010; 158(1):285-291
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- Abstract:
- The nature of soil organic matter (SOM) functional groups associated with sorption processes was determined by correlating partitioning coefficients with solid-state C-13 nuclear magnetic resonance (NMR) and diffuse reflectance mid-infrared (DRIFT) spectral features using partial least squares (PLS) regression analysis. Partitioning sorption coefficients for n-pentadecane (n-C-15) were determined for three alternative models: the Langmuir model, the dual distributed reactive domain model (DRDM) and the Freundlich model, where the latter was found to be the most appropriate. NMR-derived constitutional descriptors did not correlate with Freundlich model parameters. By contrast, PLS analysis revealed the most likely nature of the functional groups in SOM associated with n-C-15 sorption coefficients (K-F) to be aromatic, possibly porous soil char, rather than aliphatic organic components for the presently investigated soils. High PLS cross-validation correlation suggested that the model was robust for the purpose of characterising the functional group chemistry important for n-C-15 sorption. (C) 2009 Elsevier Ltd. All rights reserved.
- Authors BOKU Wien:
- Brandstätter-Scherr Kerstin
- Loibner Andreas Paul
- Find related publications in this database (Keywords)
- Petroleum hydrocarbons
- Alkanes
- Soil organic matter
- Sorption models
- NMR spectroscopy
- Infrared spectroscopy
- Chemometrics
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