Unveiling the organic acids with auxiliary functional groups effect on α‐hemihydrate gypsum: Ab initio calculations
Zhiting Wang,
Jieshuo Wan,
Xiao Zhi
et al.
Abstract:Regulating the crystal morphology of low aspect ratio, short columnar α‐hemihydrate gypsum (α‐HH) is crucial due to its distinctive physical and chemical properties, which make it widely applicable. In this work, succinic acid, malic acid, and maleic acid were selected as the research objects, among which the number and spacing of carboxyl groups were the same, while the auxiliary functional groups were different. The adsorption energy, Mulliken charge population, electronic state density, and charge density d… Show more
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