|
ИСТИНА |
Войти в систему Регистрация |
ИСТИНА ЦЭМИ РАН |
||
Thermodynamic Modeling of Solubility of Corundum in Water at Supercritical Conditionsстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 20 апреля 2022 г.
- Авторы: Plyasunov Andrey V., Zyubina Tatiana S.
- Журнал: ACS EARTH AND SPACE CHEMISTRY
- Том: 6
- Номер: 3
- Год издания: 2022
- Первая страница: 656
- Последняя страница: 671
- DOI: 10.1021/acsearthspacechem.1c00332
- Аннотация: The dissolution of corundum, Al2O3, in water is considered as a set of reactions of hydration of the solid phase with the formation of various charge-neutral aqueous Al species. Methods of quantum chemistry (QC) were used to compute the thermodynamic properties of several Al forms in the ideal gas state. The combination of QC results with estimated values of fugacity coefficients of these species in water permits the evaluation of the concentrations of various Al forms over corundum and thus the calculation of the total solubility of solid Al2O3 in supercritical water. It was found that the minimum set of species dominating the Al speciation over corundum up to 2000 K and pressure up to 7000 MPa ranges consists of at least five species: Al(OH)3, its hydrates Al(OH)3·H2O, Al(OH)3·2H2O, Al(OH)3·3H2O, and the dimer Al2(OH)6.
- Добавил в систему: Плясунов Андрей Валентинович