Combining a molecular modelling approach with direct current and high power impulse magnetron sputtering to develop new TiO2 thin films for antifouling applications

Jerome Guillot, Elodie Lecoq, David Duday, Eini Puhakka, Markus Riihimäki, Riitta Keiski, Jean-Baptiste Chemin, Patrick Choquet

Research output: Contribution to journalArticleScientificpeer-review

6 Citations (Scopus)

Abstract

The accumulation of crystallization deposits at the surface of heat exchangers results in the increase of the heat transfer resistance and a drastic loss of efficiency. Coating surfaces with a thin film can limit the scale-surface adhesion force and thus the fouling process. This study compares the efficiency of TiO2 layers exhibiting various crystalline planes and microstructures to reduce the kinetic of fouling. Molecular modelling with density functional theory is first carried out to determine the energy of CaCO3 deposition on anatase (1 0 1), (0 0 4), and (2 0 0) surfaces as well as on a rutile (1 0 1) one. TiO2 thin films (thickness <1 µm) are then synthesized by direct current and high power impulse magnetron sputtering (dcMS and HiPIMS respectively) in order to tune their crystallinity and microstructure. Lastly, the induction time to grow CaCO3 crystals at the surface of such materials is determined. Comparing the modelling and fouling results allows to draw general trends on the potential anti-scaling properties of TiO2 crystallized under various forms. Until now, such a comparison combining a theoretical approach with experimental fouling tests has never been reported in the literature.
Original languageEnglish
Pages (from-to)186-193
JournalApplied Surface Science
Volume333
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Fingerprint

Molecular modeling
Magnetron sputtering
Fouling
Thin films
Microstructure
Crystallization
Titanium dioxide
Heat exchangers
Density functional theory
Film thickness
Adhesion
Deposits
Crystalline materials
Heat transfer
Coatings
Crystals
Kinetics

Keywords

  • molecular modelling
  • fouling
  • CaCO3
  • TiO2
  • HiPIMS
  • microstructure

Cite this

Guillot, Jerome ; Lecoq, Elodie ; Duday, David ; Puhakka, Eini ; Riihimäki, Markus ; Keiski, Riitta ; Chemin, Jean-Baptiste ; Choquet, Patrick. / Combining a molecular modelling approach with direct current and high power impulse magnetron sputtering to develop new TiO2 thin films for antifouling applications. In: Applied Surface Science. 2015 ; Vol. 333. pp. 186-193.
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Combining a molecular modelling approach with direct current and high power impulse magnetron sputtering to develop new TiO2 thin films for antifouling applications. / Guillot, Jerome; Lecoq, Elodie; Duday, David; Puhakka, Eini; Riihimäki, Markus; Keiski, Riitta; Chemin, Jean-Baptiste; Choquet, Patrick.

In: Applied Surface Science, Vol. 333, 2015, p. 186-193.

Research output: Contribution to journalArticleScientificpeer-review

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T1 - Combining a molecular modelling approach with direct current and high power impulse magnetron sputtering to develop new TiO2 thin films for antifouling applications

AU - Guillot, Jerome

AU - Lecoq, Elodie

AU - Duday, David

AU - Puhakka, Eini

AU - Riihimäki, Markus

AU - Keiski, Riitta

AU - Chemin, Jean-Baptiste

AU - Choquet, Patrick

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N2 - The accumulation of crystallization deposits at the surface of heat exchangers results in the increase of the heat transfer resistance and a drastic loss of efficiency. Coating surfaces with a thin film can limit the scale-surface adhesion force and thus the fouling process. This study compares the efficiency of TiO2 layers exhibiting various crystalline planes and microstructures to reduce the kinetic of fouling. Molecular modelling with density functional theory is first carried out to determine the energy of CaCO3 deposition on anatase (1 0 1), (0 0 4), and (2 0 0) surfaces as well as on a rutile (1 0 1) one. TiO2 thin films (thickness <1 µm) are then synthesized by direct current and high power impulse magnetron sputtering (dcMS and HiPIMS respectively) in order to tune their crystallinity and microstructure. Lastly, the induction time to grow CaCO3 crystals at the surface of such materials is determined. Comparing the modelling and fouling results allows to draw general trends on the potential anti-scaling properties of TiO2 crystallized under various forms. Until now, such a comparison combining a theoretical approach with experimental fouling tests has never been reported in the literature.

AB - The accumulation of crystallization deposits at the surface of heat exchangers results in the increase of the heat transfer resistance and a drastic loss of efficiency. Coating surfaces with a thin film can limit the scale-surface adhesion force and thus the fouling process. This study compares the efficiency of TiO2 layers exhibiting various crystalline planes and microstructures to reduce the kinetic of fouling. Molecular modelling with density functional theory is first carried out to determine the energy of CaCO3 deposition on anatase (1 0 1), (0 0 4), and (2 0 0) surfaces as well as on a rutile (1 0 1) one. TiO2 thin films (thickness <1 µm) are then synthesized by direct current and high power impulse magnetron sputtering (dcMS and HiPIMS respectively) in order to tune their crystallinity and microstructure. Lastly, the induction time to grow CaCO3 crystals at the surface of such materials is determined. Comparing the modelling and fouling results allows to draw general trends on the potential anti-scaling properties of TiO2 crystallized under various forms. Until now, such a comparison combining a theoretical approach with experimental fouling tests has never been reported in the literature.

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