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- W4306407368 abstract "• Computational and experimental investigation on Nano-Gypsum (NG). • Calculated minimum cluster energy is observed at ∼70 to 75 unit of gypsum. • NG causes reduction in soil pH, electrical conductivity and sodium adsorption ratio. • Deployment of NG helps to reclaim salt affected soil. Synthesis of nano-gypsum is one of emerging research area owing to its potential advantage to overcome the issue of soil salinity. Despite this interest, a little literature is available on its structural stability in nano scale length of gypsum. Thus, in this study a computational approach along with experimental investigation is used to investigate the effect of nano-gypsum on soil salinity. Density functional theory (DFT) is used to calculate energy of nano-gypsum clusters using hybrid functional field method (i.e. B3LYP). It is observed that evaluated binding energy, formation energy and vibrational spectra establishes the structural stability of CaSO 4 ·2H 2 O cluster at ∼ 70 to 75 units of gypsum. The size of stable of nano-gypsum cluster and size of physically prepared nano-gypsum is close to each other. Further, deployment of nano-gypsum yields significant reduction in soil pH, electrical conductivity and sodium adsorption ratio during field trails indicating improved soil health." @default.
- W4306407368 created "2022-10-17" @default.
- W4306407368 creator A5006898854 @default.
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- W4306407368 date "2022-11-01" @default.
- W4306407368 modified "2023-10-14" @default.
- W4306407368 title "Synthesis of nano-gypsum: A computational approach to encounter soil salinity and land degradation" @default.
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- W4306407368 doi "https://doi.org/10.1016/j.comptc.2022.113909" @default.
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