Population Balance Modelling and Experimental Validation for Synthesis of TiO₂ Nanoparticles Using Continuous Hydrothermal Process

Abstract:

Population balance (PB) modelling is investigated as a tool to study hydrothermal synthesis (CHS) technique for nanomaterial formulation. In particular, the effects of solution concentration and reactor residence time on the particle size distribution were examined. For the purpose of model validation, the simulated results were compared with data obtained from experiments conducted using a continuous stirred tank reactor for production of nanosize TiO2 particles. Product composition was analysed using Fourier transform infrared spectroscopy, and particle size was characterised scanning electron microscopy, zetasizer and image analysis. Good agreement between experimental and simulation results was achieved.

• Periodical: Advanced Materials Research (Volume 508)
• Pages: 175-179
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.508.175
• Online since: April 2012
• Authors: Man Chen, Cai Y. Ma, Tariq Mahmud, Tian Lin, Xue Z. Wang
• Keywords: Continuous Hydrothermal Synthesis, Nanoparticle, Particle Size Distribution, Population Balance Modelling

References

[1] Darr, J. A., & Poliakoff, M. (1999). New Directions in Inorganic and Metal-Organic Coordination Chemistry in Supercritical Fluids. Chem Rev, 99(2), 495-542.

DOI: 10.1021/cr970036i

[2] Kawasaki, S. -i., Xiuyi, Y., Sue, K., Hakuta, Y., Suzuki, A., & Arai, K. (2009).

[3] Lester, E., Blood, P., Denyer, J., Giddings, D., Azzopardi, B., & Poliakoff, M. (2006). Reaction engineering: The supercritical water hydrothermal synthesis of nano-particles. Journal of Supercritical Fluids, 37(2), 209-214.

DOI: 10.1016/j.supflu.2005.08.011

[4] Zhang, Z. C., Brown, S., Goodall, J. B. M., Weng, X. L., Thompson, K., Gong, K. N., et al. (2009). Direct continuous hydrothermal synthesis of high surface area nanosized titania. Journal of Alloys and Compounds, 476(1-2), 451-456.

DOI: 10.1016/j.jallcom.2008.09.036

[5] Thompson, R. W., & Dyer, A. (1985). A Modified Population Balance Model for Hydrothermal Molecular-Sieve Zeolite Synthesis. Zeolites, 5(5), 292-301.

DOI: 10.1016/0144-2449(85)90161-7

[6] Sheikh, A. Y., Jones, A. G., & Graham, P. (1996). Population balance modeling of particle formation during the chemical synthesis of zeolite crystals: Assessment of hydrothermal precipitation kinetics. Zeolites, 16(2-3), 164-172.

DOI: 10.1016/0144-2449(95)00116-6

[7] Lummen, N., & Kvamme, B. (2008). Determination of nucleation rates of FeCl2 in supercritical water by molecular dynamics simulations. Journal of Supercritical Fluids, 47(2), 270-280.

DOI: 10.1016/j.supflu.2008.07.017

[8] Nahtigal, I. G., Zasetsky, A. Y., & Svishchev, I. M. (2008). Nucleation of NaCl nanoparticles in supercritical water: Molecular dynamics simulations. Journal of Physical Chemistry B, 112(25), 7537-7543.

DOI: 10.1021/jp709688g

[9] Erriguible, A., Mariasi, F., Cansell, F., & Aymonier, C. (2009).

[10] Sierra-Pallares, J., Teresa Parra-Santos, M., García-Serna, J., Castro, F., & José Cocero, M. (2009).

DOI: 10.1016/j.supflu.2009.05.001

[11] Chen, M., Ma, C. Y., Mahmud, T., Darr, J. A., & Wang, X. Z. (2011).

[12] Costa, C. B. B., Maciel, M. R. W., & Maciel, R. (2007). Considerations on the crystallization modeling: Population balance solution. Computers & Chemical Engineering, 31(3), 206-218.

DOI: 10.1016/j.compchemeng.2006.06.005

[13] Li, X., Chen, Z., Shi, Y., & Liu, Y. (2011). Preparation of N, Fe co-doped TiO2 with visible light response. Powder Technology, 207(1-3), 165-169.

DOI: 10.1016/j.powtec.2010.10.024

[14] Mockel, H., Giersig, M., & Willig, F. (1999). Formation of uniform size anatase nanocrystals from bis(ammonium lactato)titanium dihydroxide by thermohydrolysis. Journal of Materials Chemistry, 9(12), 3051-3056.

DOI: 10.1039/a905373e

[15] Cai Y. Ma, Christopher J. Tighe, Robert I. Gruar, Tariq Mahmud, Jawwad A. Darr, Xue Z. Wang* (2011).