Now showing items 1-2 of 2
Role of pore chemistry and topology in the heavy metal sorption by zeolites: From molecular simulation to machine learning.
(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
(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 ...