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A new model for nano-TiO2 crystal birth and growth in hydrothermal treatment using an oriented attachment approach

  • The synthesis of TiO2 was studied in an original hydrothermal process that uses triethanolamine titanium complex Ti(TeoaH)2 as a Ti precursor and triethanolamine (TeoaH3) as a shape controller to obtain bipyramidal anatase nanoparticles. Backed-up by experimental evidence, i.e., time profiles for Ti(IV) species concentrations together with crystal shape and particle size distributions measured by dynamic light scattering and electron microscopy, a mathematical model was built. The model includes chemical reactions responsible for TiO2 generation in solution and the subsequent anatase nucleation and crystal growth. The oriented attachment mechanism was adopted to explain the build-up of crystals with equilibrium anatase structure (Wulff structure) and time-varying shape factor. This complex mathematical model was solved writing and validating an in-house software using the Matlab (Natick, MA, USA) environment. The process was simulated for a batch time of 50 h, and the results, inThe synthesis of TiO2 was studied in an original hydrothermal process that uses triethanolamine titanium complex Ti(TeoaH)2 as a Ti precursor and triethanolamine (TeoaH3) as a shape controller to obtain bipyramidal anatase nanoparticles. Backed-up by experimental evidence, i.e., time profiles for Ti(IV) species concentrations together with crystal shape and particle size distributions measured by dynamic light scattering and electron microscopy, a mathematical model was built. The model includes chemical reactions responsible for TiO2 generation in solution and the subsequent anatase nucleation and crystal growth. The oriented attachment mechanism was adopted to explain the build-up of crystals with equilibrium anatase structure (Wulff structure) and time-varying shape factor. This complex mathematical model was solved writing and validating an in-house software using the Matlab (Natick, MA, USA) environment. The process was simulated for a batch time of 50 h, and the results, in terms of main species concentration and crystal size distributions, are in rather good agreement with the experimental measurements.zeige mehrzeige weniger

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  • Isopescu_et_al, cg_d, 2017, tio2-np-bypi.pdf
    eng
  • Isopescu_et_al, cg_d, 2017, tio2-np-bypi_si.pdf
    eng

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Metadaten
Autor*innen:V. Lavric, R. Isopescu, V. Maurino, F. Pellegrino, L. Pellutiè, Erik Ortel, Vasile-Dan HodoroabaORCiD
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Crystal Growth & Design
Jahr der Erstveröffentlichung:2017
Verlag:ACS Publications
Jahrgang/Band:17
Ausgabe/Heft:11
Erste Seite:5640
Letzte Seite:5651
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Freie Schlagwörter:Crystal growth; Modelling; Nanoparticles; SEM/EDX; TiO2
DOI:10.1021/acs.cgd.7b00302
URL:http://pubs.acs.org/doi/pdf/10.1021/acs.cgd.7b00302
ISSN:1528-7483
ISSN:1528-7505
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:07.11.2017
Referierte Publikation:Ja
Datum der Eintragung als referierte Publikation:24.11.2017
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