TY  - BOOK
AU  - Ahmed, Ashour Abdelaal Mahmoud
PY  - 2013
DA  - 2013//
TI  - Binding of chlorinated environmentally active chemicals to soil surfaces: chromatographic measurements and quantum chemical simulations
AB  - Adsorption studies of hexachlorobenzene (HCB) on the different well-characterized soil samples were performed. A new soil organic matter (SOM) model has been developed. Interaction of this model with HCB has been studied using different quantum-mechanical methods and molecular dynamics simulations. It has been explored that the alkylated aromatic, phenol, and lignin monomer compounds dominate the adsorption process. Moreover it was found that the most vital physical properties controlling this interaction are polarizability, molar volume, and charges of C atoms of the soil constituents.
UR  - http://rosdok.uni-rostock.de/resolve?urn=urn:nbn:de:gbv:28-diss2014-0030-2
UR  - http://rosdok.uni-rostock.de/resolve?urn=urn:nbn:de:gbv:28-diss2014-0030-2&pdf
UR  - http://nbn-resolving.de/urn:nbn:de:gbv:28-diss2014-0030-2
LA  - English
N1  - vorgelegt von Ashour Abdelaal Mahmoud Ahmed
ID  - 77945586X
ER  -