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Modelling of Asorption Processes in Soil Systems

Modelling of Asorption Processes in Soil Systems

Georg Haberhauer (ORCID: )
  • Grant DOI 10.55776/P17967
  • Funding program Principal Investigator Projects
  • Status ended
  • Start April 1, 2005
  • End May 31, 2008
  • Funding amount € 261,796
  • Project website

Disciplines

Chemistry (60%); Agriculture and Forestry, Fishery (20%); Physics, Astronomy (20%)

Keywords

    Soil Adsorption, Quantum Chemistry, Xenobiotic Compounds, Prediction Method, Statistical Thermodynamics, Empirical Adsorption Isotherms

Abstract Final report

Faults are of major interest both in structural geology, tectonics, and in engineering geology and rock mechanics. The interest in faults and fault zones is practical as well as scientific and aestethic because faults and associated structures form the major discontinuities in the Earths upper crust and are largely responsible for the design and shape of the great mountain belts. The formation of faults dramatically changes the characteristics of an orogen and of rock mass at all scales. At the scale of the orogen and at outcrop-scale, associated structures (shear and extensional fractures) result in disintegration of the rock mass and enhanced accessibility to several weathering processes; at smaller scales, it results in structural, chemical and mechanical changes (e.g., shear resistence). The main intention of this project is the the reconstruction of the evolution of fault rocks during continuous deformation within a brittle shear zone, the chemical alterations of both the host and the fault rocks, and the relationship between confining faults and structures in the internal parts of an uplifting massif. For a case study, we have chosen the Lavanttal Fault at the western margin of the Koralm Complex. This area has been selected because of our wide knowledge of this part of the Eastern Alps due to own field studies, and because the Koralm Tunnel with a length of 32.8 km is planned to be built under Koralm Massif between Deutschlandsberg and St. Andrä south of Wolfsberg. Especially a certain number of deep core drillings, partly reaching depths of up to 1200 m, has extended the access to geological and geotechnical samples to a third dimension. The acquisition of this material shall facilitate the elaboration of a model providing a detailed reconstruction of the structural inventory and its influence on rock mass behaviour. The Koralm Massif exposes a well situated testing area providing the elaboration of the relationships between faulting along the margins of the Koralm Complex, brittle structures in the internal parts and morphological processes, as well as the investigation of the structural evolution of a major fault zone (the Lavanttal Fault) and related fault rocks.

Faults are of major interest both in structural geology, tectonics, and in engineering geology and rock mechanics. The interest in faults and fault zones is practical as well as scientific and aestethic because faults and associated structures form the major discontinuities in the Earth`s upper crust and are largely responsible for the design and shape of the great mountain belts. The formation of faults dramatically changes the characteristics of an orogen and of rock mass at all scales. At the scale of the orogen and at outcrop-scale, associated structures (shear and extensional fractures) result in disintegration of the rock mass and enhanced accessibility to several weathering processes; at smaller scales, it results in structural, chemical and mechanical changes (e.g., shear resistence). The main intention of this project is the the reconstruction of the evolution of fault rocks during continuous deformation within a brittle shear zone, the chemical alterations of both the host and the fault rocks, and the relationship between confining faults and structures in the internal parts of an uplifting massif. For a case study, we have chosen the Lavanttal Fault at the western margin of the Koralm Complex. This area has been selected because of our wide knowledge of this part of the Eastern Alps due to own field studies, and because the Koralm Tunnel with a length of 32.8 km is planned to be built under Koralm Massif between Deutschlandsberg and St. Andrä south of Wolfsberg. Especially a certain number of deep core drillings, partly reaching depths of up to 1200 m, has extended the access to geological and geotechnical samples to a third dimension. The acquisition of this material shall facilitate the elaboration of a model providing a detailed reconstruction of the structural inventory and its influence on rock mass behaviour. The Koralm Massif exposes a well situated testing area providing the elaboration of the relationships between faulting along the margins of the Koralm Complex, brittle structures in the internal parts and morphological processes, as well as the investigation of the structural evolution of a major fault zone (the Lavanttal Fault) and related fault rocks.

Research institution(s)
  • Universität Wien - 36%
  • Austrian Institute of Technology - AIT - 38%
  • Universität für Bodenkultur Wien - 26%
Project participants
  • Hans Lischka, Universität Wien , associated research partner
  • Martin Gerzabek, Universität für Bodenkultur Wien , associated research partner

Research Output

  • 133 Citations
  • 5 Publications
Publications
  • 2008
    Title Acid–base properties of a goethite surface model: A theoretical view
    DOI 10.1016/j.gca.2008.04.037
    Type Journal Article
    Author Aquino A
    Journal Geochimica et Cosmochimica Acta
    Pages 3587-3602
  • 2008
    Title A model study of dickite intercalated with formamide and N-methylformamide
    DOI 10.1007/s00269-008-0223-9
    Type Journal Article
    Author Scholtzová E
    Journal Physics and Chemistry of Minerals
    Pages 299-309
  • 2007
    Title Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation
    DOI 10.1002/jcc.20685
    Type Journal Article
    Author Chidthong R
    Journal Journal of Computational Chemistry
    Pages 1735-1742
  • 2007
    Title Interaction of naphthalene derivatives with soil: an experimental and theoretical case study
    DOI 10.1111/j.1365-2389.2007.00935.x
    Type Journal Article
    Author Winkler P
    Journal European Journal of Soil Science
    Pages 967-977
  • 2006
    Title Quantum Chemical Adsorption Studies on the (110) Surface of the Mineral Goethite
    DOI 10.1021/jp0649192
    Type Journal Article
    Author Aquino A
    Journal The Journal of Physical Chemistry C
    Pages 877-885

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