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Theoretical analysis of calcium phosphate precipitation in simulated body fluid

Authors Lu, Xiong HKUST affiliated (currently or previously)
Leng, Yang View this author's profile
Issue Date 2005
Source Biomaterials , v. 26, (10), 2005, APR, p. 1097-1108
Summary The driving force and nucleation rate of calcium phosphate (Ca-P) precipitation in simulated body fluid (SBF) were analyzed based on the classical crystallization theory. SBF supersaturation with respect to hydroxyapatite (HA), octacalcium phosphate (OCP) and dicalcium phosphate (DCPD) was carefully calculated, considering all the association/dissociation reactions of related ion groups in SBF. The nucleation rates of Ca-P were calculated based on a kinetics model of heterogeneous nucleation. The analysis indicates that the nucleation rate of OCP is substantially higher than that of HA, while HA is most thermodynamically stable in SBF The difference in nucleation rates between HA and OCP reduces with increasing pH in SBF. The HA nucleation rate is comparable with that of OCP when the pH value approaches 10. DCPD precipitation is thermodynamically impossible in normal SBF, unless calcium and phosphate ion concentrations of SBF increase. In such case, DCPD precipitation is the most likely because of its highest nucleation rates among Ca-P phases. We examined the influences of different SBF recipes, interfacial energies, contact angle and molecular volumes, and found that the parameter variations do not have significant impacts on analysis results. The effects of carbonate incorporation and calcium deficiency in HA were also estimated with available data. Generally, such apatite precipitations are more kinetically favorable than HA. (C) 2004 Elsevier Ltd. All rights reserved.
Note Biomaterials © copyright (2004) Elsevier. The Journal's web site is located at
ISSN 0142-9612
Language English
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