First observation of radiolytic bubble formation in unstirred nano-powder sludges and a consistent model thereof

O’Leary, Mel; Baidak, Aliaksandr; Barnes, Martyn; Donoclift, Thomas; Emerson, Christopher P.; Figueira, Catarina; Fox, Oliver; Kleppe, Annette K.; McCulloch, Aaron; Messer, Darryl; Orr, Robin M.; Currell, Frederick

doi:10.1038/s41598-021-01868-1

Cited by 4 publications

(3 citation statements)

References 43 publications

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“…These processes have implications in a range of areas such as accurately calculating the biological effect of radiation upon patients undergoing radiation-based therapy 2 , and understanding the risks induced and therefore safety procedures required when storing nuclear materials and waste [3][4][5] . Water radiolysis occurs in any residual water on radioactive oxide nanopowders and the subsequent reactions produce molecular hydrogen, the production of which must be understood and managed [6][7][8][9] . Furthermore, radiolysis is relevant to a wide range of fields, including nuclear corrosion 10 , radiation contamination in streams 11 , medical radioisotope production 12 , physical failure analysis in semiconductors 13 , radiation shielding 14 , and synthesizing bimetallic nanoparticles 15 .…”

Section: Introductionmentioning

confidence: 99%

A New Approach for Simulating Inhomogeneous Chemical Kinetics

Bradshaw

O’Leary

Purser

et al. 2023

Preprint

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In this paper, inhomogeneous chemical kinetics are simulated by describing the concentrations of interacting chemical species by a linear expansion of basis functions in such a manner that the coupled reaction and diffusion processes are propagated through time efficiently by tailor-made numerical methods. The approach is illustrated through modelling α− and γ−radiolysis in thin layers of water and at their solid interfaces from the start of the chemical phase until equilibrium was established. The method’s efficiency is such that hundreds of such systems can be modelled in a few hours using a single core of a typical laptop, allowing the investigation of the effects of the underlying parameter space. Illustrative calculations showing the effects of changing dose-rate and water-layer thickness are presented. Other simulations are presented which show the approach’s capability to solve problems with spherical symmetry (an approximation to an isolated radiolytic spur), where the hollowing out of an initial Gaussian distribution is observed, in line with previous calculations. These illustrative simulations show the generality and the computational efficiency of this approach to solving reaction-diffusion problems. Furthermore, these example simulations illustrate the method’s suitability for simulating solid-fluid interfaces, which have received a lot of experimental attention in contrast to the lack of computational studies.

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Section: Introductionmentioning

confidence: 99%

A New Approach for Simulating Inhomogeneous Chemical Kinetics

Bradshaw

O’Leary

Purser

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

“…These processes have implications in a range of areas such as accurately calculating the biological effect of radiation upon patients undergoing radiation-based therapy 2 , and understanding the risks induced and therefore safety procedures required when storing nuclear materials and waste 3 – 5 . Water radiolysis occurs in any residual water on radioactive oxide nanopowders and the subsequent reactions produce molecular hydrogen, the production of which must be understood and managed 6 – 9 . Furthermore, radiolysis is relevant to a wide range of fields, including nuclear corrosion 10 , radiation contamination in streams 11 , medical radioisotope production 12 , physical failure analysis in semiconductors 13 , radiation shielding 14 , and synthesizing bimetallic nanoparticles 15 .…”

Section: Introductionmentioning

confidence: 99%

A new approach for simulating inhomogeneous chemical kinetics

Bradshaw,

O’Leary,

Purser

et al. 2023

Sci Rep

Self Cite

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In this paper, inhomogeneous chemical kinetics are simulated by describing the concentrations of interacting chemical species by a linear expansion of basis functions in such a manner that the coupled reaction and diffusion processes are propagated through time efficiently by tailor-made numerical methods. The approach is illustrated through modelling $$\alpha$$ α - and $$\gamma$$ γ -radiolysis in thin layers of water and at their solid interfaces from the start of the chemical phase until equilibrium was established. The method’s efficiency is such that hundreds of such systems can be modelled in a few hours using a single core of a typical laptop, allowing the investigation of the effects of the underlying parameter space. Illustrative calculations showing the effects of changing dose-rate and water-layer thickness are presented. Other simulations are presented which show the approach’s capability to solve problems with spherical symmetry (an approximation to an isolated radiolytic spur), where the hollowing out of an initial Gaussian distribution is observed, in line with previous calculations. These illustrative simulations show the generality and the computational efficiency of this approach to solving reaction-diffusion problems. Furthermore, these example simulations illustrate the method’s suitability for simulating solid-fluid interfaces, which have received a lot of experimental attention in contrast to the lack of computational studies.

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“…The retained measurements rate of the source was dDγ/dt=0.40 Gy/s. The calculation of the radiation dosage in these frameworks was performed in comparison with the electron thickness [19][20][21].…”

mentioning

confidence: 99%

Molecular hydrogen production by radiolysis of water on the surface of nano-ZrO2 under the influence of gamma rays

Imanova

2022

Synth. Sinter.

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In this research, the radiation-heterogeneous processes of water decomposition on the surface of zirconium dioxide nanoparticles (n-ZrO2) were studied. The kinetics of buildup of molecular hydrogen during the radiolytic processes of water decomposition was also examined. The production of H2 and H2O2 through water radiolysis was investigated to develop a computational model and disclose the kinetic behavior of water radiolysis. The enthalpy of ZrO2 nanoparticles was studied at the temperature range T=1200-2900 K, in which ZrO2 nanoparticles has a two-phase transition. Some of the electrons were transported to the surface of the nanoparticles during the physical and physicochemical stages of the process and emitted into the water. At the same time, the migration of energy carriers in radioactively active oxide compounds changed at different intervals depending on the composition, structural stability, and electro-physical properties of the oxides.

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First observation of radiolytic bubble formation in unstirred nano-powder sludges and a consistent model thereof

Cited by 4 publications

References 43 publications

A New Approach for Simulating Inhomogeneous Chemical Kinetics

A New Approach for Simulating Inhomogeneous Chemical Kinetics

A new approach for simulating inhomogeneous chemical kinetics

Molecular hydrogen production by radiolysis of water on the surface of nano-ZrO2 under the influence of gamma rays

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