Investigation of hydration activity and Ca—O bonds of the aluminate minerals CA, CA2 and CA6 with SCF-DV-Xa
Source abstract
Abstract
The relationship between valence bond structures and the hydration activity of the aluminate minerals CA, CA2 and CA6 has been studied by the SCF-DV-Xa method. Comparing the calcillated results, such as bond ordel; hydraulic activation energy and electronic energy level states, etc., we have confirmed the theoretical reason for the hydration activity sequence of three aluminate minerals being CA > CA2 > CA6.
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Research context
OpenAlex topics: Inorganic Chemistry and Materials · Ammonia Synthesis and Nitrogen Reduction
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Affiliations
Wuhan University of Technology
References
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