A MODEL FOR H2O SOLUBILITY MECHANISMS IN ALBITE MELTS FROM INFRARED SPECTROSCOPY AND MOLECULAR ORBITAL CALCULATIONS
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dc.contributor.author | Sykes D. | |
dc.contributor.author | Kubicki J.D. | |
dc.date.accessioned | 2020-11-11T06:16:57Z | |
dc.date.available | 2020-11-11T06:16:57Z | |
dc.date.issued | 1993 | |
dc.identifier | https://elibrary.ru/item.asp?id=31577260 | |
dc.identifier.citation | Geochimica et Cosmochimica Acta, 1993, , 5, 1039-1052 | |
dc.identifier.issn | 0016-7037 | |
dc.identifier.uri | https://repository.geologyscience.ru/handle/123456789/18921 | |
dc.description.abstract | Infrared spectra of H 2 O - and D 2 O - NaAlSi 3 O 8 (albite) glasses were measured and contain two major differences from the anhydrous glass spectra. The first is the presence of a number of bands above 3000 cm -1 arising from O-H stretching modes. The second change in hydrous glass spectra is the appearance of a shoulder at approximately 900 cm -1 . No frequency shift of the 900 cm -1 shoulder was detected with H-D substitution. We conclude, based on our infrared spectra and molecular orbital calculations as well as previous NMR ( et al., 1989) and Raman ( and , 1986a) spectra, that the 900 cm -1 band in the vibrational spectra of H 2 O-albite glass arises from an Al-(OH) stretching vibration in an Al Q 3 site. The model proposed in this paper is that below 30 mol% [H 2 O] tot , molecular water interacts with the network A1 3+ to produce Al-(OH) and a minor concentration of Si-(OH) bonds. Above 30 mol% [H 2 O] tot , the dominant species is molecular H 2 O and H + exchanges with Na + at the charge-balancing site to produce molecular NaOH or hydrated Na + ( H 2 O ) n , complexes in the melt. | |
dc.title | A MODEL FOR H2O SOLUBILITY MECHANISMS IN ALBITE MELTS FROM INFRARED SPECTROSCOPY AND MOLECULAR ORBITAL CALCULATIONS | |
dc.type | Статья |
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