title: |
Binding of chlorinated environmentally active chemicals to soil surfaces: Chromatographic
measurements and quantum chemicalSimulations |
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contributing persons: |
Ashour Ahmed[VerfasserIn] |
 |
1047494655 |
Oliver Kühn
, Prof. Dr.[AkademischeR BetreuerIn] |
 |
141056487 |
|
Universität Rostock, Institut für Physik |
Peter Leinweber
, Prof. Dr.[AkademischeR BetreuerIn] |
 |
133120813 |
|
Universität Rostock, Professur Bodenkunde |
Ralf Ludwig
, Prof. Dr.[AkademischeR BetreuerIn] |
 |
136437524 |
|
Universität Rostock, Institut für Chemie |
Sören Thiele-Bruhn
, Prof. Dr.[AkademischeR BetreuerIn] |
|
Universität Trier, Institut für Bodenkunde |
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contributing corporate bodies: |
Universität Rostock, Mathematisch-Naturwissenschaftliche Fakultät[Grad-verleihende Institution] |
 |
2147083-2 |
|
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abstract: |
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.
[English] |
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document type: |
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institution: |
Faculty of Mathematics and Natural Sciences |
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language: |
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subject class (DDC): |
540 Chemistry & allied sciences |
530 Physics |
|
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publication / production: |
Rostock
Rostock: Universität Rostock
|
2014
|
|
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identifiers: |
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access condition: |
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license/rights statement: |
all rights reserved This work may only be used under the terms of the German Copyright Law (Urheberrechtsgesetz). |
|
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RosDok id: |
rosdok_disshab_0000001099 |
created / modified: |
17.01.2014 / 08.08.2023
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metadata license: |
The metadata of this document was dedicated to the public domain (CC0 1.0 Universal Public Domain Dedication). |