Water dissolution in albite melts: Constraints from ab initio NMR calculations

Geochimica et Cosmochimica Acta

Volumn 66, Issue 23, 2002, Pages 4149-4163

  Liu, Yun ^a   Nekvasil, Hanna ^a   Long, Hongbo ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALBITE; DISSOLUTION; HYDROXYL RADICAL; IGNEOUS GEOCHEMISTRY; NUCLEAR MAGNETIC RESONANCE; WATER;

EID: 0036889768     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(02)01000-1     Document Type: Article

References (57)

1. A new mixing of hartree-fock and local density functional theories
2. A high-resolution O-17 and Si-29 NMR study of zeolite siliceous ferrierite and ab initio calculations of NMR parameters
3. Water and magmas, a mixing model
4. The glass transition in hydrous granitic melts
5. Off-resonance nutation nuclear-magnetic-resonance study of framework aluminosilicate glasses with Li, Na, K, Rb or Cs as charge-balancing cations
6. 17O multiple quantum magic angle spinning NMR spectroscopy
7. Self-consistent perturbation theory of diamagne-tism I. A gauge-invariant LCAO method for N.M.R. chemical shifts
8. Small clusters of water molecules using density functional theory
9. A study of the structural role of water in hydrous silica glass using cross-polarisation magic angle spinning NMR
10. 17O liquid and vapor
11. Viscosities of hydrous leucogranitic melts: A non-Arrhenian model
12. Multinuclear solid-state NMR study of the local-structure of SiOHAl groups their interaction with probe-molecules in dehydrated Faujasite and Zeilite ZSM-5
13. MAS NMR spectroscopy of minerals and glasses
14. A multinuclear magnetic resonance study of the structure of hydrous albite glasses
15. The interaction between water and alumino-silicate magmas
16. 2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations" by D. Sykes and J. D. Kubicki
17. 23Na solid state NMR data and their implications for water dissolution mechanisms
18. 29Si NMR parameters in hydrous silica and Na-aluminosilicate glasses
19. Molecular orbital calculations on aluminosilicate tricluster molecules: Implication for the structure of aluminosilicate glasses
20. 2O in sodium-silicate glasses-results from Si-29 and H-1 NMR spectroscopy
21. 2 and F on the density and viscosity of silicate melts
22. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
23. Ab initio studies of possible fluorine-bearing four- and five- coordinated Al species in aluminosilicate glasses
24. Quantum cluster equilibrium theory of liquids: Freezing of QCE/3-21G water to tetrakaidecahedral "Bucky-ice."
25. 9 glasses
26. Volatiles in silicate melts at high pressure and temperature. 1. Interaction between OH groups and Si, Al, Ca, Na and H
27. Solubility behavior of water in haploandesitic melts at high pressure and high temperature
28. Chemical shifts in liquid water calculated by molecular dynamics simulations and shielding polarizabilities
29. 29Si NMR spectroscopy of framework aluminosilicate glasses
30. Si-29 CPMAS NMR investigations of silanol-group minerals and hydrous baluminosilicate glasses
31. 17O NMR spectra of hydrous silicate glasses
32. 2O
33. Water as a dense ice-like component in silicate glasses
34. Quantitative determination of water speciation in aluminosilicate glasses: A comparative NMR and IR spectroscopic study
35. Structural implications of water dissolution in haplogranitic glasses from NMR spectroscopy: Influence of total water content and mixed alkali effect
36. Different water solubility mechanisms in hydrous glasses along the Qz-Ab join: Evidence from NMR spectroscopy
37. Water in albite glasses
38. Oxygen sites in silicate glasses: A new view from oxygen-17 NMR
39. The speciation of water in silicate melts
40. 2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations
41. 2O solubility mechanisms in albite melts from infrared spectroscopy and molecular orbital calculations"
42. 4 aluminosilicate molecules and implications for the interpretation of hydrous aluminosilicate glass NMR spectra
43. 8
44. Neutron diffraction study of light and heavy water mixtures at 25°C
45. 23Na NMR shieldings in silicates and aluminosilicates
46. Calculation of the structural and NMR properties of the tridecameric
47. Density functional predictions for magnetizabilities and nuclear shielding constants
48. Temperature induced changes in the NIR spectra of hydrous albitic and rhyolitic glasses: Implications for hydrous speciation reaction
49. 2)n,=1-6. I. Optimal structures and vibrational spectra
50. Oxygen speciation in hydrous silicate glasses: An oxygen-17 NMR study
51. 2 polymorphs
52. 1H NMR parameters for various OH groups: Implications to the speciation and dynamics of dissolved water in silicate glasses
53. Proton environments in hydrous aluminosilicate glasses: A H-1 MAS, H-1/Al-27, and H-1/Na-23 TRAPDOR NMR study
54. In support of a depolymerization model for water in sodium aluminosilicate glasses: Information from NMR spectroscopy