10.1021/acsami.7b13677.s001
Ghada Nafie
Ghada
Nafie
Gerardo Vitale
Gerardo
Vitale
Lante Carbognani Ortega
Lante Carbognani
Ortega
Nashaat N. Nassar
Nashaat N.
Nassar
Nanopyroxene
Grafting with β‑Cyclodextrin Monomer for Wastewater Applications
American Chemical Society
2017
Nanopyroxene Grafting
Alberta oil sands
ecofriendly platform
modeling
nano-AE offer
laboratory experiments
oil sands industry
dynamics simulations
removal
Wastewater Applications
nanopyroxene
β- cyclodextrin
nanoparticle technology
compound
wastewater treatment applications
sodium iron-silicate aegirine
two-model naphthenic acid molecules
trans -4-pentylcyclohexanecarboxylic acids
tailings containments
macro level
2017-11-07 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Nanopyroxene_Grafting_with_Cyclodextrin_Monomer_for_Wastewater_Applications/5613043
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.