Semi-empirical AM1 calculations on 6-memebered alumino-silicate rings model: Implications for dissolution process of metakaoline in alkaline solutions

Journal of Materials Science

Volumn 42, Issue 9, 2007, Pages 3015-3023

  Yunsheng, Zhang ^a   Wei, Sun ^a  

^a SOUTHEAST UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DISSOLUTION; KAOLIN; NEGATIVE IONS; POLYMERIZATION; REACTION KINETICS;

ALKALINE SOLUTIONS; METAKAOLINE; RING BREAKAGE; TETRAHEDRON;

ALUMINOSILICATES;

EID: 34248374175     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-006-0521-x     Document Type: Article

References (59)

1. Davidovits J (1991) J Thermal Anal 37(8):1633
2. van Jaarsveld JGS, van Deventer JSJ, Lorenzen L (1997) Minerals Eng 10(7):659
3. Granizo ML, Blanco-Varela MT, Palomo A (2000) J Mater Sci 35(24):6309
4. Provis JL, Duxson P, van Deventer JSJ, Lukey GC (2005a) Chem Eng Res Design 83(A7):853
5. Provis JL, Lukey GC, van Deventer JSJ (2005b) Chem Mater 17(12):3075
6. Xu H, van Deventer JSJ (2000) Comput Chem 24(3-4):391
7. Xu H, van Deventer JSJ, Roszak S, Leszczynski J (2004) Int J Quantum Chem 96(4):365
8. Lasaga AC, Gibbs GV (1990) Am J Sci 290(3):263
9. de Jong BHWS, Brown GE (1980) Geochim Cosmochim Acta 44(3):491
10. Lasaga AC, Gibbs GV (1990) Am J Sci 290(3):263
11. Kubicki JD, Sykes D (1995) Geochim Cosmochim Acta 59(23):4791
12. Pereira JCG, Catlow CRA, Price GD (1999b) J Phys Chem A 103(17):3268
13. Catlow CRA, George AR, Freeman CM (1996) Chem Comm (11):1311
14. Lasaga A (1984) J Geophy Res 89(B6):4009
15. Blum AE, Lasaga AC (1991) Geochim Cosmochim Acta 55(8):2193
16. Blum AE, Lasaga AC (1988) Nature 331(6155):431
17. Brady PV, Walther JV (1990) Chem Geol 82(3-4):253
18. Casey WH, Sposito G (1992) Geochim Cosmochim Acta 56(10):3825
19. Oelkers EH, Scholl J, Devidal JL (1994) Geochim Cosmochim Acla 58(9):2011
20. Faimon J (1996) Geochim Cosmochim Acta 60(15):2901
21. Walther JV (1996) Am J Sci 296(7):693
22. Xiao Y, Lasaga AC (1996) Geochim Cosmochim Acta 60(13):2283
23. Bauer A, Velde B, Berger G (1998) Appl Geochem 13(5):619
24. Ejaz T, Jones AG, Graham P (1999) J Chem Eng Data 44(3):574
25. Huertas FJ, Chou L, Wollast R (1999) Geochim Cosmochim Acta 63(19-20):3261
26. Hamilton JP, Brantley SL, Panlano CG, Criscenti LJ, Kubicki JD (2001) Geochim Cosmochim Acta 65(21):3683
27. Oelkers EH (2001) Geochim Cosmochim Acta 65(21):3703
28. Köhler SJ, Dufaud F, Oelkers EH (2003) Geochim Cosmochim Acla 67(19):3583
29. Tsomaia N, Brantley SL, Hamilton JP, Pantano CG, Mueller KT (2003) Am Mineral 88(1):54
30. Davidovits J (1988) In: Proceedings of Ihe First European Conference on Soft Mineralogy, France: Compiegne, pp 25-48
31. Davidovits J, Comrie DC, Paterson JH, Ritcey DJ (1990) Design Construct 12(7):30
32. Davidovits J, Davidovits M (1991) In: 36th Annual SAMPE Symposium. California, Covina: Society for the Advancement of Material and Process Engineering, pp 1939-1949
33. Davidovits J (1993a) Ceram Transac 37:165
34. Davidovits J (1993b) In: Emerging technologies on cement and concrete in the global environment Symposium. Chicago IL SKOKIE, IL, PCA, USA, p 21
35. Davidovits J (1994a) Concrete Int 16(12):53
36. Davidovits J (1994b) J Mater Edu 16(2&3):91
37. Davidovits J (1994c) In: Mehta PK (ed) Concrete technology, past, present, and future. American Concrete Institute SP-144, Detroit, pp 383-397
38. Davidovits J (1994d) In: Proceedings of the First International conference on Alkali Cements and Concretes, Scientific, Ukraine, KIEV, pp 131-149
39. Lyon RE, Foden A, Balaguru PN, Davidovits M, Davidovits J (1997) J Fire Mater 21:67
40. Lyon RE, Sorathia U, Balaguru PN, Foden A, Davidovits J, Davidovits M (1996) In: Proceedings of the first International Conference on Fiber Composites in Infrastructure (ICCI'96). Dept. Civil Eng., University of Arizona, USA, Tucson Arizona, pp 972-981
41. Davidovits J (1999) In: Proceedings of Geopolymere '99. Institute Geopolymer, France, Saint-Quentin, pp 9-40
42. Van Jaarsveld JGS, Van Deventer JSJ (1999) Cement Concrete Res 29(8):1189
43. Van Jaarsveld JGS, Van Deventer JSJ, Lorenzen L (1998) Metall Mater Transac B 29B:283
44. Van Jaarsveld JGS, Van Deventer JSJ, Schwartzman A (1999) Minerals Eng 12(1):75
45. Hua X, Van Deventer JSJ (2000) Int J Miner Process 59:247
46. Phair JW, Van Deventer JSJ (2001) Mineral Eng 14(3):289
47. Palomo A, Blanco Varela MT, Granizo ML et al (1999) Cement Concrete Res 29(7):997
48. Alonso S, Palomo A (2000) Cement Concrete Res 31(1):25
49. Alonso S, Palomo A (2001) Mater Lett 56(3):127
50. Palomo A, Grutzeck MW, Blanco MT (1999) Cement Concrete Res 29(8):1323
51. Barbosa VFF, Mackenzie KJD, Thaumaturge C (2000) Int J Inorg Mater 2(4):309
52. Pawl F (1989) Structural chemistry of silicates: structure, bonding formation and classification. Xi Yaozhong t r ans., Beijing, China: the China Binding and industrial Press
53. Ding Z, Zhang D, Wang X (1997) Bull Chinese Ceram Soc 4:57
54. Rocha J, Klinowski J (1990) Angewandte Chemie - Int Ed, English 29(5):553
55. Babushkin VT, Matveyev GM, Mchedlov-Petrossyan OP (1985) Thermodynamics of silicates. Springer-Verlag, Berlin, pp 276-281
56. McComick AV, Bell AT, Raddke CJ (1989) J Phys Chem 93(5):1733
57. McComick AV, Bell AT, Raddke CJ (1989) J Phys Chem 93(5):1737
58. McComick AV, Bell AT, Raddke CJ (1.989) J Phys Chem 93(5):1747
59. Swaddle TW, Salerno J, Tregloan PA (1994) Chem Soc Rev 23:319