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Heat Exchanger Fouling and Cleaning VII
July 1-6, 2007 - Tomar, Portugal
| Editors: |
Hans Müller-Steinhagen, Institute of Technical Thermodynamics, German Aerospace Centre (DLR)
and Institute for Thermodynamics and Thermal Engineering, University of Stuttgart, Germany
M. Reza Malayeri, University of Stuttgart, Germany
A. Paul Watkinson, The University of British Columbia, Canada |
The articles for these proceedings are peer-reviewed.
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FOULING MECHANISMS BY AB INITIO CALCULATIONS CONDENSATION REACTIONS ON THE RUTILE (101) SURFACE AND ADSORPTION OF IONS ON THE Cr2O3 SURFACES
E. Puhakka, VTT Technical Research Centre of Finland, P.O. Box 1000, FI02044
M. Riihimäki, University of Oulu, Department of Process and Environmental Engineering, P.O. Box 4300, FI90014 OULUN YLIOPISTO, Finland
R.L. Keiski, University of Oulu, Department of Process and Environmental Engineering, P.O. Box 4300, FI90014 OULUN YLIOPISTO, Finland
ABSTRACT:
Molecular modelling approach was utilized to describe
detailed fouling mechanism caused by crystallization. The
interest was on the heat transfer surfaces, which were
manufactured from titanium and stainless steel. With ab
initio calculations, the role of the surface oxide layer
structure of titanium and stainless steel on fouling was
investigated. The surface structure of titanium and stainless
steel were assumed to consist of rutile (TiO2) and
dichromium trioxide (Cr2O3), respectively. It was found that
the inorganic fouling depends strongly on the oxide layer
structure and the existence of hydroxyl groups on the
surface. Based on the results, two mechanistically different
fouling categories were found. When the surface hydroxyl
groups exist, the fouling can take place via condensation
reactions with species containing hydroxyl groups. On
surfaces without the surface hydroxyl groups, fouling takes
place preferably via adsorption of ions.
E. Puhakka, M. Riihimäki, and R.L. Keiski, "FOULING MECHANISMS BY AB INITIO CALCULATIONS CONDENSATION REACTIONS ON THE RUTILE (101) SURFACE AND ADSORPTION OF IONS ON THE Cr2O3 SURFACES" in "Heat Exchanger Fouling and Cleaning VII", Hans Müller-Steinhagen, Institute of Technical Thermodynamics, German Aerospace Centre (DLR)
and Institute for Thermodynamics and Thermal Engineering, University of Stuttgart, Germany
M. Reza Malayeri, University of Stuttgart, Germany
A. Paul Watkinson, The University of British Columbia, Canada
Eds, ECI
Symposium Series, Volume RP5 (2007). http://services.bepress.com/eci/heatexchanger2007/39
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