Removal of Cs, Sr, U and Pu species from simulated nuclear waste effluent using graphene oxide

Carey, Thomas; Williams, Christopher; McArthur, Daniel J.; Malkinson, Tammie; Thompson, Olivia R.; Baidak, Aliaksandr; Murtagh, Laura; Glodán, Györgyi; Morgan, S. H.; Banford, Anthony

doi:10.1007/s10967-018-5931-0

Cited by 12 publications

(3 citation statements)

References 48 publications

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“…GO can subsequently be reduced to form reduced graphene oxide (rGO) [17], recovering some of the desirable properties of graphene. Aside from being useful as a precursor to graphene, GO has many potential applications in aqueous solution in its own right, such as water purification by membrane filtration [18,19], corrosion resistant films [20], stimuli-responsive materials [21] and as an adsorbent for the removal of environmental contaminants [22,23].…”

Section: Introductionmentioning

confidence: 99%

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Williams

Lı́sal

2020

2D Mater.

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Obtaining stable aqueous dispersions of graphene-based materials is a major obstacle in the development and widespread use of graphene in nanotechnology. The efficacy of atomistic simulations in obtaining a molecular-level insight into aggregation and exfoliation of graphene/graphene oxide (GO) is hindered by length and time scale limitations. In this work, we developed coarse-grained (CG) models of graphene/GO sheets, compatible with the polarizable Martini water model, using molecular dynamics, iterative Boltzmann inversion and umbrella sampling simulations. The new CG models accurately reproduce graphene/GO–water radial distribution functions and sheet–sheet aggregation free energies for small graphene (−316 kJ mol−1) and GO (−108 kJ mol−1) reference sheets. Deprotonation of carboxylic acid functionalities stabilize the exfoliated state by electrostatic repulsion, providing they are present at sufficiently high surface concentration. The simulations also highlight the pivotal role played by entropy in controlling the propensity for aggregation or exfoliation. The CG models improve the computational efficiency of simulations by an order of magnitude and the framework presented is transferrable to sheets of different sizes and oxygen contents. They can now be used to provide fundamental physical insights into the stability of dispersions and controlled self-assembly, underpinning the computational design of graphene-containing nanomaterials.

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Section: Introductionmentioning

confidence: 99%

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Williams

Lı́sal

2020

2D Mater.

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“…The Langmuir–Freundlich equilibrium isotherm model fits very well with a good correlation coefficient. The maximum Cs + -exchange capacity ( q m ) of InSnOS was found to be 537.7(4.5) mg/g, ranking it among the best reported Cs + adsorbents and much higher than those of commercial Cs + sorbents − ,− , (Table S3). The ion-exchange processes can be described by the following equation The measured q m of 537.7 mg/g of [In 8 Sn 12 O 10 S 32 ] 12– open anionic framework is larger than that of the theoretical capacity for Cs + (452 mg/g calculated from per gram of anhydrous open oxysulfide anionic framework).…”

Section: Resultsmentioning

confidence: 99%

“…Since in industrial and nuclear waste a broad concentration range of other non-radioactive cations such as Na + , K + , Mg 2+ , Ca 2+ , and NH 4 + and anions HCO 3 – , CO 3 2– , SO 4 2– , HPO 4 2– , and Cl – are present, , the performance of InSnOS for Cs + ion exchange in the presence of a variety of concentrations of all these ions were tested (Figures and S15). The capture performance of InSnOS for Cs + (5 ppm) is impressive in the presence of Na + , K + , Mg 2+ , Ca 2+ , and NH 4 + cations and HCO 3 – , CO 3 2– , SO 4 2– , HPO 4 2– , and Cl – anions from low to high concentration (0.0001, 0.001, 0.01, 0.1, and 1 M, respectively).…”

Section: Resultsmentioning

confidence: 99%

Highly Selective Radioactive ¹³⁷Cs⁺ Capture in an Open-Framework Oxysulfide Based on Supertetrahedral Cluster

et al. 2019

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Removal of 137Cs+, one of the most hazardous radionuclides, from nuclear waste, is a challenging task because it requires simultaneously high capacity and high selectivity. Chalcogenides offer a great opportunity to design and create high-performance 137Cs+ absorbents. We report a new material (InSnOS) with facile ion-exchange properties. The anionic framework is based on corner-shared pseudo-T4 supertetrahedral oxysulfide [In8Sn12O10S34]16– clusters, resulting in the formula [In8Sn12O10S32]12–. The crystal structure features the interpenetration of two independent oxysulfide cluster frameworks which create pincer cavities based on sulfur atoms that prove highly effective for capturing Cs+ ions. The binding mode of the Cs+ ions by the material was determined by a single crystal structure refinement of a fully ion-exchanged single crystal. The structure determinations show that the small pores created by the two interpenetrating frameworks are the optimal size for capturing Cs+. This advantage makes the material very effective for the removal and recovery of 137Cs+ from aqueous solution. This framework shows not only extremely high exchange capacity (q m), 537.7 mg per g of anionic [In8Sn12O10S32]12– framework, ranking it among the best reported Cs+ sorbents, but also superior affinity and selectivity when using complex solutions simulating industrial and nuclear waste conditions.

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Effluent Decontamination

Blet

2021

Encyclopedia of Nuclear Energy

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Removal of Cs, Sr, U and Pu species from simulated nuclear waste effluent using graphene oxide

Cited by 12 publications

References 48 publications

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Highly Selective Radioactive ¹³⁷Cs⁺ Capture in an Open-Framework Oxysulfide Based on Supertetrahedral Cluster

Effluent Decontamination

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Removal of Cs, Sr, U and Pu species from simulated nuclear waste effluent using graphene oxide

Cited by 12 publications

References 48 publications

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Coarse grained models of graphene and graphene oxide for use in aqueous solution

Highly Selective Radioactive 137Cs+ Capture in an Open-Framework Oxysulfide Based on Supertetrahedral Cluster

Effluent Decontamination

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Highly Selective Radioactive ¹³⁷Cs⁺ Capture in an Open-Framework Oxysulfide Based on Supertetrahedral Cluster