Computer modeling of synthesis of calcium hydroxyapatite (CHAp)
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In our previous papers (Mackevičius et al. in Cent Eur J Chem 10(2):380–385, 2012, J Math Chem 50(8):2291–2302, 2012), we presented a method for estimation of the diffusion and reaction rates of synthesis at high temperatures using limited information, such as synthesis time and dimensions of reactants, from real laboratory experiments. The method was limited to the two-reactant case. In order to extend the method to the three-reactant case, the form and distribution of particles of three reactants must satisfy requirements of periodicity and symmetry. In our model, we achieve this by taking rhombic particles and a triangular synthesis space. Solving in the latter an inverse modeling problem, we obtain explicit formulas for the diffusion coefficient and reaction rate as functions of temperature by calculating the activation energies and other parameters of CHAp synthesis.
KeywordsSol–gel processing Three-reactant model Diffusion coefficient Reaction rate
Research presented in the introduction section was funded by a grant (No. TAP-LLT-07/2012) from the Research Council of Lithuania.
- 11.F. Xia, J. Brugger, A. Pring, Arsenian pyrite formation: solid-state diffusion or dissolution-reprecipitation replacement? In: Smart Science for Exploration and Mining, Proceedingsof the 10th Biennial SGA Meeting of The Society for Geology Applied to Mineral Deposits vol. 2 (2010), pp. 700–702Google Scholar
- 27.I. Bogdanoviciene, K. Tonsuaadu, A. Kareiva, Polish J. Chem. 83, 47 (2009)Google Scholar
- 28.I. Bogdanoviciene, A. Beganskiene, A. Kareiva, R. Juskenas, A. Selskis, R. Ramanauskas, K. Tonsuaadu, V. Mikli, Chemija 21, 98 (2010)Google Scholar