Theoretical calculations of the thermodynamic stability of ionic substitutions in hydroxyapatite under an aqueous solution environment

Journal of Physics Condensed Matter

Volumn 22, Issue 38, 2010, Pages

  Matsunaga, Katsuyuki ^a,b   Murata, Hidenobu ^a   Shitara, Kazuki ^a  

^a KYOTO UNIVERSITY   (Japan)

^b JAPAN FINE CERAMICS CENTER   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; CHEMICAL EQUILIBRIUMS; DEFECT FORMATION ENERGIES; DIVALENT CATION; IONIC SUBSTITUTIONS; THEORETICAL APPROACH; THEORETICAL CALCULATIONS;

APATITE; BIOLOGICAL MATERIALS; BIOMATERIALS; CALCIUM; CHEMICAL POTENTIAL; CHEMICALS; DEFECTS; HYDROXYAPATITE; ION EXCHANGE; PHASE EQUILIBRIA; POSITIVE IONS; THERMODYNAMIC STABILITY;

SOLUTIONS;

BIOMATERIAL; CALCIUM; CATION; HYDROXYAPATITE; ION; OXYGEN; WATER;

ARTICLE; CHEMISTRY; ELECTRON; METHODOLOGY; PH; PHYSICS; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

BIOCOMPATIBLE MATERIALS; CALCIUM; CATIONS; DURAPATITE; ELECTRONS; HYDROGEN-ION CONCENTRATION; IONS; OXYGEN; PHYSICS; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 77957195679     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/38/384210     Document Type: Article

References (44)

1. Elliott J C 2002 Reviews in Mineralogy and Geochemistry vol 48 (Washington, DC: Mineralogical Society of America) p 427
2. Legeros R Z 1991 Calcium Phosphates in Oral Biology and Medicine (Basel: Karger)
3. Rude R K, Gruber H E, Wei L Y, Frausto A and Mills B G 2003 Calcif. Tissue Int. 72 32
4. Kawamura H, Ito A, Miyakawa S, Layrolle P, Ojima K, Ichinose N and Tateishi T 2000 J. Biomed. Mater. Res. 50 184
5. Grynpas M D and Marie P J 1990 Bone 11 313
6. Canalis E, Hott M, Delffre P, Tsouderos Y and Marie P J 1996 Bone 18 517
7. Buehler J, Chappuis P, Saffar J L, Tsouderos Y and Vignery A 2001 Bone 29 176
8. Dahl S G, Allain P, Marie P J, Mauras Y, Boivin G, Ammann P, Tsouderos Y, Delmas P D and Christiansen C 2001 Bone 28 446
9. Grynpas M D, Hamilton E, Cheung R, Tsouderos Y, Deloffre P, Hott M and Marie P J 1996 Bone 18 253
10. Bigi A, Foresti E, Gregorini R, Ripamonti A, Roveri N and Shah J S 1992 Calcif. Tissue Int. 50 439
11. Kanzaki N, Onuma K, Treboux G, Tsutsumi S and Ito A 2000 J. Phys. Chem. B 104 4189
12. Suzuki T, Hatsushika T and Hayakawa Y 1981 J. Chem. Soc. Faraday Trans. 1 77 1059
13. Suzuki T, Hatsushika T and Miyake M 1982 J. Chem. Soc. Faraday Trans. 1 78 3605
14. Takeuchi Y and Arai H 1990 J. Chem. Eng. Japan 23 75
15. Suzuki S, Fuzita T, Maruyama T and Takahashi M 1993 J. Am. Ceram. Soc. 76 1638
16. Yasukawa A, Yokoyama T, Kandori K and Ishikawa T 2004 Colloids Surf. A 238 133
17. Lazić S and Vuković Ž 1991 J. Radiat. Nucl. Chem. 149 161
18. Zhu K J, Yanagisawa K, Shimanouchi R, Onda A and Kajiyoshi K 2006 J. Eur. Ceram. Soc. 26 509
19. Terra J, Jiang M and Ellis D E 2002 Phil. Mag. A 82 2357
20. Astala R and Stott M J 2005 Chem. Mater. 17 4125
21. Astala R, Calderín L, Yin X and Stott M J 2006 Chem. Mater. 18 413
22. Pietak A M, Reid J W, Stott M J and Sayer M 2007 Biomaterials 28 4023
23. Matsunaga K 2008 Phys. Rev. B 77 104106
24. Matsunaga K 2010 J. Am. Ceram. Soc. 93 1
25. Shannon R A 1976 Acta Crystallogr. A 32 751
26. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
27. Blöchl P E 1994 Phys. Rev. B 50 17953
28. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
29. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
30. Kay M I, Young R A and Posner A S 1964 Nature 204 1050
31. Matsunaga K and Kuwabara A 2007 Phys. Rev. B 75 014102
32. Parlinski K, Li Z Q and Kawazoe Y 1997 Phys. Rev. Lett. 78 4063
33. Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
34. Matsunaga K, Inamori H and Murata H 2008 Phy. Rev. B 78 094101
35. Pliego J R and Riveros J M 2000 Chem. Phys. Lett. 332 597
36. Llano J and Eriksson L A 2002 J. Chem. Phys. 117 10193
37. Matsunaga K 2008 J. Chem. Phys. 128 245101
38. Matsunaga K and Murata H 2009 J. Phys. Chem. B 113 3584
39. Matsunaga K and Murata H 2009 Mater. Trans. 50 1041
40. Wagman D D, Evans W H, Parker V B, Schumm R H, Halow I, Bailey S M, Churney K L and Nuttall R L 1982 The NBS tables of chemical thermodynamic properties J. Phys. Chem. Ref. Data 11 1
41. Wedig U, Jansen M, Paulus B, Rosciszewski K and Sony P 2007 Phys. Rev. B 75 205123
42. Gaston N and Paulus B 2007 Phys. Rev. B 76 214116
43. Verbeek R M H, Steyaer H, Thun H P and Verbeek F 1980 J. Chem. Soc., Faraday Trans. 1 76 2090219
44. Payne D J, Egdell R G, Walsh A, Watson G W, Guo J, Glans P A, Learmonth T and Smith K E 2006 Phys. Rev. Lett. 96 157403