Ozone-based regeneration of granular zeolites loaded with acetaminophen

Fu, Mingyan; He, Mingjing; Heijman, S.G.J.; Hoek, Jan Peter van der

doi:10.1016/j.seppur.2020.117616

“…Instead of synthesizing new frameworks, composites of existing frameworks (e. g. DON + IFR + MOR + MEL or MTW) could be an easier way of making broad band zeolite adsorbents for actual applications. [40,41] In terms of currently commercially available zeolite adsorbents, FAU has the ability to adsorb all PPCPs in principle, but shows a rather low affinity, whereas MOR and BEA exhibit higher affinities towards PPCPs across all negative environmental effect clusters. By clustering the relative interaction energies by drug classes and environmental effects we conclude that in sum the frameworks CFI, BEA, MOR and MTW complement each other well in terms of affinities towards different drug classes.…”

Section: Discussionmentioning

confidence: 99%

“…Moreover, they may aid the targeted synthesis of new zeolites designed for PPCP removal or the development of zeolite-based composite materials for actual application. [40,41] https://doi.org/10.26434/chemrxiv-2024-90fx8 ORCID: https://orcid.org/0000-0001-5133-1537 Content not peer-reviewed by ChemRxiv. License: CC BY 4.0…”

Section: Introductionmentioning

confidence: 99%

Computational screening of hydrophobic zeolites for the removal of emerging organic contaminants from water

Brauer,

Fischer

2024

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0

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The pollution of water resources by pharmaceuticals and agents of personal care products (PPCPs) poses an increasingly pressing issue that has received considerable attention from scientists and government agencies alike. Hydrophobic zeolites can serve as selective adsorbents to remove these contaminants from aqueous solution. So far, the adsorption of PPCPs in zeolites has often been investigated in case studies focusing on a small number of contaminants and one or a few zeolites. We present a computational screening approach to investigate the interaction of 53 PPCPs with 14 all-silica zeolites, aiming at a more comprehensive understanding of factors that are beneficial for a strong host-guest interaction and thus an efficient adsorption. The systems are modelled on the classical force field level of theory, allowing for the efficient computational treatment of a large number of PPCP-zeolite combinations and evaluated in terms of the interaction energy between PPCP and zeolite framework. For selected PPCP-zeolite combinations additional Free Energy Perturbation simulations are employed to compute Free Energies of Transfer between the aqueous phase and the adsorbed state. These results can serve as a starting point for experimental studies of relevant PPCP-zeolite combination or more in-depth theoretical investigations. Furthermore, the calculations can provide guidelines for the design of zeolite composite materials or even new zeolite frameworks with enhanced adsorption properties.

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“…Moreover, they may aid the targeted synthesis of new zeolites designed for PPCP removal or the development of zeolite-based composite materials for actual application. [40,41] https://doi.org/10.26434/chemrxiv-2024-90fx8-v2 ORCID: https://orcid.org/0000-0001-5133-1537 Content not peer-reviewed by ChemRxiv. License: CC BY 4.0…”

Section: Introductionmentioning

confidence: 99%

Computational screening of hydrophobic zeolites for the removal of emerging organic contaminants from water

Brauer,

Fischer

2024

Preprint

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The pollution of water resources by pharmaceuticals and agents of personal care products (PPCPs) poses an increasingly pressing issue that has received considerable attention from scientists and government agencies alike. Hydrophobic zeolites can serve as selective adsorbents to remove these contaminants from aqueous solution. So far, the adsorption of PPCPs in zeolites has often been investigated in case studies focusing on a small number of contaminants and one or a few zeolites. We present a computational screening approach to investigate the interaction of 53 PPCPs with 14 all-silica zeolites, aiming at a more comprehensive understanding of factors that are beneficial for a strong host-guest interaction and thus an efficient adsorption. The systems are modelled on the classical force field level of theory, allowing for the efficient computational treatment of a large number of PPCP-zeolite combinations and evaluated in terms of the interaction energy between PPCP and zeolite framework. For selected PPCP-zeolite combinations additional Free Energy Perturbation simulations are employed to compute Free Energies of Transfer between the aqueous phase and the adsorbed state. These results can serve as a starting point for experimental studies of relevant PPCP-zeolite combination or more in-depth theoretical investigations. Furthermore, the calculations can provide guidelines for the design of zeolite composite materials or even new zeolite frameworks with enhanced adsorption properties.

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“…Firstly, adsorption processes such as activated carbon which can, for instance, be applied in powdered or granular form (Zietzschmann et al, 2016); secondly, oxidation processes such as ozonation (Ekblad et al, 2021); and thirdly, membrane processes such as reverse osmosis and nanofiltration (Ebrahimzadeh et al, 2021). Combinations of these also provide an option to remove OMPs from the wastewater, e.g., ozonation in combination with activated carbon filtration (Guillossou et al, 2020), sand filtration (Hollender et al, 2009) or zeolite filtration (Fu et al, 2021a;Fu et al, 2021b).…”

Section: Introductionmentioning

confidence: 99%

Removal of Antibiotic Resistance From Municipal Secondary Effluents by Ozone-Activated Carbon Filtration

Spit

¹

,

Hoek

²

,

Jong³

et al. 2022

Front. Environ. Sci.

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At wastewater treatment plants (WWTPs), additional steps are introduced for removal of organic micropollutants (OMPs) from the treated effluents, especially pharmaceutical residues. At the same time, a new concern is emerging: antibiotic resistance (AR). This research studied the effect of ozonation, coagulation and granular activated carbon (GAC) filtration applied as tertiary treatment for the removal of OMPs and nutrients, on AR removal. Bacterial culture methods in selective media were used to screen for four different microorganisms: two faecal indicators (Escherichia coli and Enterococci) as antibiotic sensitive bacteria (ASB), and a resistant strain of each of these bacteria, namely Extended-Spectrum Beta-lactamase producing E. coli (ESBL-E.coli) and Vancomycin Resistant Enterococci (VRE) as antibiotic resistant bacteria (ARB). At laboratory scale, ozonation experiments (ozone dose 0.4–0.6 g O3/g DOC) and coagulation experiments using Polyaluminum chloride (PAX-214) and FeCl3 (coagulant dose 0.004–1 mM/L) were performed using secondary effluent from two municipal WWTPs. In addition in a pilot plant and full-scale plant ozonation (ozone dose 0.4 g O3/g DOC) and GAC filtration (empty bed contact time 15 min) were studied for AR removal. No significant differences were found between ARB and ASB removal for coagulation and ozonation which could indicate that ASB can be used as an initial proxy for ARB removal for these technologies. In the laboratory experiments, ozonation and coagulation showed a good removal of both ARB and ASB. However, the doses needed to reach 2–3 log removal were a factor 2.5–4 (ozonation) and 250 (coagulation) higher than applied for OMP removal (by ozonation) and phosphorus (P) removal (by coagulation). In the GAC filters, the risk of ARB enhancement occurred, especially in filters with a matured biology. Although these bacteria are not necessarily directly harmful, they can pass down their resistance to pathogenic bacteria via horizontal gene transfer.

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Ozone-based regeneration of granular zeolites loaded with acetaminophen

Cited by 17 publications

References 18 publications

Computational screening of hydrophobic zeolites for the removal of emerging organic contaminants from water

Computational screening of hydrophobic zeolites for the removal of emerging organic contaminants from water

Computational screening of hydrophobic zeolites for the removal of emerging organic contaminants from water

Removal of Antibiotic Resistance From Municipal Secondary Effluents by Ozone-Activated Carbon Filtration

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