Elimination of tiny oil droplets nearly miscible with wastewater can be realized using membrane technology through ultrafiltration. The novelty of this work was to blend different phases of molybdenum disulfide (MoS) in isotropic polyethersulfone (PES). We prepared isotropic PES membranes by optimizing nonsolvent vapour-induced phase separation (VIPS). Membranes were blended with MoS nanosheets of different phases to promote separation performance and antifouling resistance. FE-SEM revealed the flower-like surface morphology of MoS nanosheets. HR-TEM of MoS revealed 2H domains in the monolayer, flakes of a few layers and a -spacing of 0.22 nm. Raman spectroscopy could be used to distinguish mixed-phase MoS from single-phase MoS. Isotropic PES membranes modified with 70% 1T/2H MoS had a significantly high permeance to pure water (6911 kg m h bar). The same membrane possessed a high efficiency of oil rejection of 98.78%, 97.85%, 99.83% for emulsions of industrial crude oil at 100, 1000 and 10 000 mg L, respectively. Removal of oil droplets from wastewater was dominated by a mechanism based on size exclusion. Isotropic PES modified with 2H MoS possessed superior oleophilicity, which resulted in low rejection of crude oil. Modified membranes showed excellent fouling resistance for three successive filtration cycles, as evidenced by enhanced antifouling parameters. Our study reveals how the phase composition of MoS nanosheets can significantly affect the performance of isotropic PES membranes during the ultrafiltration of oily wastewater.
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http://dx.doi.org/10.1039/d4ra01052c | DOI Listing |
J Chem Phys
June 2024
Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada.
We present an isotropic ab initio (para-H2)4 four-body interaction potential energy surface (PES). The electronic structure calculations are performed at the correlated coupled-cluster theory level, with single, double, and perturbative triple excitations. They use an atom-centered augmented correlation-consistent double zeta basis set, supplemented by a (3s3p2d) midbond function.
View Article and Find Full Text PDFJ Phys Chem A
June 2024
MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary.
We report a full-dimensional ab initio analytical potential energy surface (PES), which accurately describes the HCl + CH multichannel reaction. The new PES is developed by iteratively adding selected configurations along HCl + CH quasi-classical trajectories (QCTs), thereby improving our previous Cl(P) + CH PES using the Robosurfer program package. QCT simulations for the H'Cl + CH reaction reveal hydrogen-abstraction, chlorine-abstraction, and hydrogen-exchange channels leading to Cl + CHH', H' + CHCl, and HCl + CHH', respectively.
View Article and Find Full Text PDFRSC Adv
April 2024
Institute of Basic and Applied Sciences, Egypt-Japan University of Science and Technology (E-JUST) 179 New Borg El-Arab City Alexandria Egypt
Elimination of tiny oil droplets nearly miscible with wastewater can be realized using membrane technology through ultrafiltration. The novelty of this work was to blend different phases of molybdenum disulfide (MoS) in isotropic polyethersulfone (PES). We prepared isotropic PES membranes by optimizing nonsolvent vapour-induced phase separation (VIPS).
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2023
College of Science, Civil Aviation University of China, Tianjin 300300, China.
Multivalent salt plays important roles in polyelectrolyte (PE) systems. Some special effects, such as ion mediated electrostatic correlation and reentrant condensation can be induced in the presence of multivalent salt. In this work, the self-assembly behaviors of diblock PEs in trivalent salt solutions are mainly investigated by molecular dynamics (MD) simulations, and partial results are qualitatively verified by experiments.
View Article and Find Full Text PDFJ Chem Phys
January 2022
Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada.
We present a 3D isotropic ab initio three-body (para-H) interaction potential energy surface (PES). The electronic structure calculations are carried out at the correlated coupled-cluster theory level, with single, double, and perturbative triple excitations. The calculations use an augmented correlation-consistent triple zeta basis set and a supplementary midbond function.
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