posted on 2017-11-07, 00:00authored byGhada Nafie, Gerardo Vitale, Lante Carbognani Ortega, Nashaat N. Nassar
Emerging nanoparticle
technology provides opportunities for environmentally friendly wastewater
treatment applications, including those in the large liquid tailings
containments in the Alberta oil sands. In this study, we synthesize
β-cyclodextrin grafted nanopyroxenes to offer an ecofriendly
platform for the selective removal of organic compounds typically
present in these types of applications. We carry out computational
modeling at the micro level through molecular mechanics and molecular
dynamics simulations and laboratory experiments at the macro level
to understand the interactions between the synthesized nanomaterials
and two-model naphthenic acid molecules (cyclopentanecarboxylic and
trans-4-pentylcyclohexanecarboxylic acids) typically existing in tailing
ponds. The proof-of-concept computational modeling and experiments
demonstrate that monomer grafted nanopyroxene or nano-AE of
the sodium iron-silicate aegirine are found to be promising candidates
for the removal of polar organic compounds from wastewater, among
other applications. These nano-AE offer new possibilities for treating
tailing ponds generated by the oil sands industry.