Browsing Gold Collection by Author "Wanyonyi, Fred Sifuna"
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Computational screening of zeolites for the adsorption of selected pharmaceutical pollutants
Wanyonyi, Fred Sifuna; Pembere, Anthony; Mutua, Gershom Kyalo; Orata, Francis; Louis, Hitler (SN Applied Sciences, 2020-10-27)Molecular simulations have been used as a screening tool to identify promising zeolites for the removal of selected pharmaceutical pollutants. 40 zeolites with different structural and chemical configurations were studied. ... -
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 ... -
Role of pore chemistry and topology in the heavy metal sorption by zeolites: From molecular simulation to machine learning.
Wanyonyi, Fred Sifuna; Fidelis, Timothy Tizhe; Mutua, Gershom Kyalo; Orata, Francis; Pembere, Anthony M.S. (Science Direct, 2021-07)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 ... -
Simulation guided prediction of zeolites for the sorption of selected anions from water: Machine learning predictors for enhanced loading
Wanyonyi, Fred Sifuna; Fidelis, Timothy Tizhe; Louis, Hitler; Mutua, Gershom Kyalo; Orata, Francis; Rhyman, Lydia; Ramasami, Ponnadurai; Pembere, Anthony M.S. (Journal of Molecular Liquids, 2022-06-01)The development of highly efficient adsorbents, especially those that can harvest anions like CrO42−, AsO43−, NO3– and PO43−, is one of the principal challenges in the water treatment field. The current study utilized a ...