A study of the structural and spectral characteristics of free and bound water in kaolinite
- Авторлар: Kasprzhitskii A.S.1, Lazorenko G.I.1, Sulavko S.N.1, Yavna V.A.1, Kochur A.G.1
-
Мекемелер:
- Rostov State Transport University
- Шығарылым: Том 121, № 3 (2016)
- Беттер: 357-363
- Бөлім: Condensed-Matter Spectroscopy
- URL: https://journal-vniispk.ru/0030-400X/article/view/164988
- DOI: https://doi.org/10.1134/S0030400X16090113
- ID: 164988
Дәйексөз келтіру
Аннотация
The dependence of the Si–O stretching vibration line intensity in the IR spectrum of kaolinite on the humidity of this mineral has been experimentally investigated. The experimental data were interpreted on the basis of density functional theory (DFT) calculations with allowance for the real crystallographic features of the kaolinite sample, determined by structural analysis. Some specific features of the intensity behavior in the plastic state are revealed, which can be used to develop techniques for determining its limits. The differences in the O–H bond lengths and H–O–H angles for the H2O molecules adsorbed by basal surfaces and located in the porous space of the mineral are determined. Based on the DFT data, it was found that bond lengths and bond angles for a water molecule adsorbed on the siloxane surface are systematically smaller than for a water molecule adsorbed on the hydroxyl surface.
Авторлар туралы
A. Kasprzhitskii
Rostov State Transport University
Email: glazorenko@yandex.ru
Ресей, Rostov-on-Don, 344038
G. Lazorenko
Rostov State Transport University
Хат алмасуға жауапты Автор.
Email: glazorenko@yandex.ru
Ресей, Rostov-on-Don, 344038
S. Sulavko
Rostov State Transport University
Email: glazorenko@yandex.ru
Ресей, Rostov-on-Don, 344038
V. Yavna
Rostov State Transport University
Email: glazorenko@yandex.ru
Ресей, Rostov-on-Don, 344038
A. Kochur
Rostov State Transport University
Email: glazorenko@yandex.ru
Ресей, Rostov-on-Don, 344038
Қосымша файлдар
