Mathematical modeling for the crystallization process of hydroxyapatite obtained by precipitation in aqueous solution

Valentina R. Dejeu, Barabás Réka, Pop Alexandru, Bogya Erzsébet Sára, Paul Şerban Agachi

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

In the paper are presented the theoretical and experimental results concerning the influence of pH and temperature over the rate of the transformation: beta-whitlockite (beta-tricalcium phosphate) in hydroxyapatite (HAP). From the data of the kinetic studies were calculated the values of the rate constants and activation energies at pH = 8.5 - 12. Based on the obtained values for the activation energies it has been established that the process of transformation of beta-whitlockite in HAP could be described using a combined macrokinetic mechanism: transfer - mass transformation. The mathematical of the process has been elaborated and the numerical values of the constants from the mathematical model were determined. Based on the proposed model process simulations were made and the results show that the obtained values fit well with the experimental data, which confirms the model validation.

Original languageEnglish
Pages (from-to)61-70
Number of pages10
JournalStudia Universitatis Babes-Bolyai Chemia
Volume3
Publication statusPublished - Nov 2 2009

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Durapatite
Crystallization
Activation energy
Rate constants
Mass transfer
Mathematical models
Kinetics
Temperature
whitlockite
beta-tricalcium phosphate

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

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title = "Mathematical modeling for the crystallization process of hydroxyapatite obtained by precipitation in aqueous solution",
abstract = "In the paper are presented the theoretical and experimental results concerning the influence of pH and temperature over the rate of the transformation: beta-whitlockite (beta-tricalcium phosphate) in hydroxyapatite (HAP). From the data of the kinetic studies were calculated the values of the rate constants and activation energies at pH = 8.5 - 12. Based on the obtained values for the activation energies it has been established that the process of transformation of beta-whitlockite in HAP could be described using a combined macrokinetic mechanism: transfer - mass transformation. The mathematical of the process has been elaborated and the numerical values of the constants from the mathematical model were determined. Based on the proposed model process simulations were made and the results show that the obtained values fit well with the experimental data, which confirms the model validation.",
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Mathematical modeling for the crystallization process of hydroxyapatite obtained by precipitation in aqueous solution. / Dejeu, Valentina R.; Réka, Barabás; Alexandru, Pop; Sára, Bogya Erzsébet; Agachi, Paul Şerban.

In: Studia Universitatis Babes-Bolyai Chemia, Vol. 3, 02.11.2009, p. 61-70.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Mathematical modeling for the crystallization process of hydroxyapatite obtained by precipitation in aqueous solution

AU - Dejeu, Valentina R.

AU - Réka, Barabás

AU - Alexandru, Pop

AU - Sára, Bogya Erzsébet

AU - Agachi, Paul Şerban

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AB - In the paper are presented the theoretical and experimental results concerning the influence of pH and temperature over the rate of the transformation: beta-whitlockite (beta-tricalcium phosphate) in hydroxyapatite (HAP). From the data of the kinetic studies were calculated the values of the rate constants and activation energies at pH = 8.5 - 12. Based on the obtained values for the activation energies it has been established that the process of transformation of beta-whitlockite in HAP could be described using a combined macrokinetic mechanism: transfer - mass transformation. The mathematical of the process has been elaborated and the numerical values of the constants from the mathematical model were determined. Based on the proposed model process simulations were made and the results show that the obtained values fit well with the experimental data, which confirms the model validation.

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