Browsing by Author "Pemberec, Anthony M.S"

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Role of pore chemistry and topology in the heavy metal sorption by zeolites: From molecular simulation to machine learnin

Wanyonyi, Fred Sifuna; Fidelisb, Timothy Tizhe; Mutua, Gershom Kyalo; Orata, Francis; Pemberec, Anthony M.S (Computational Materials Science, 2021-04-23)

Zeolite frameworks can provide pores that enable selective heavy metals sorption, making these materials promising for energy-efficient heavy metals capture. In the present study, the adsorption of hazardous heavy metal ...