Influence of the parent cation on the thermalization of subexcitation electrons in solid water

Goulet, T.; Patau, J.P.; Jay-Gerin, J.-P.

doi:10.1021/j100381a065

Cited by 29 publications

(31 citation statements)

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“…For this purpose, we assumed that the H 3 O + ions are produced evenly in an isolated spherically symmetric spur. The spur's initial radius r o (prior to spur expansion) was chosen to be equal to the average electron thermalization distance (r th ) obtained from our simulations (r th ≈ 11.7 nm at 25°C [35]) [33,37,56,73]. The temperature dependence of r th used in this work is shown in Figure 4a.…”

Section: Resultsmentioning

confidence: 99%

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Kanike¹,

Meesungnoen²,

Sanguanmith³

et al. 2016

CNL Nuclear Review

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Section: Resultsmentioning

confidence: 99%

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Kanike¹,

Meesungnoen²,

Sanguanmith³

et al. 2016

CNL Nuclear Review

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“…Indeed, due to their wave nature (and thus their non-negligible delocalized character), these electrons should be most sensitive to the local environment of water molecules 6,29,53 and therefore to variations in density. This is physically relevant especially for the subexcitationenergy electrons [56][57][58][59] (o7.3 eV in liquid water 60 ) whose prompt recombination with the geminate cations of water (H 2 O + ) is likely to be reduced at high temperature and low density. 6,59,61 In fact, the recombination of a subexcitation electron with its parent cation (prior to thermalization of the electron) is a process which requires a close approach of the opposite charges.…”

Section: Resultsmentioning

confidence: 99%

Density dependence of the yield of hydrated electrons in the low-LET radiolysis of supercritical water at 400 °C: influence of the geminate recombination of subexcitation-energy electrons prior to thermalization

Meesungnoen

Sanguanmith

Jay‐Gerin

2013

Phys. Chem. Chem. Phys.

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Monte Carlo simulations were used to calculate the yield of hydrated electrons (eaq(-)) in the low-linear energy transfer radiolysis of supercritical water at 400 °C as a function of water density over the range of ~0.15 to 0.6 g cm(-3). Very good agreement was found between our calculations and picosecond pulse radiolysis experimental data at ~60 ps and 1 ns at high density (>0.35 g cm(-3)). At densities lower than ~0.35 g cm(-3), our eaq(-) yields were lower than the experimental data, especially at ~60 ps. However, if we incorporated into the simulations a prompt geminate electron-cation (H2O˙(+)) recombination (prior thermalization of the electron) that decreased as the density decreased, our computed eaq(-) yields at ~60 ps and 1 ns compared fairly well with the experimental data for the entire density range studied.

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“…Thermalization distance (r th ) of subexcitation electrons [4,[12][13][14] at 300 ο C (the transport of excitation electrons in water from their initial energies until they become thermalized, ~7.3 eV in liquids water), was adjusted by the previous author to bring the present simulation results and their computed data into good concurrence. The corrected primary yields were − aq e and H…”

Section: Thermalization Distancementioning

confidence: 99%

Monte-Carlo Simulation of γ-ray and Fast Neutron Radiolysis of Liquid Water and 0.4 M H2SO4 Solutions at Temperatures up to 325oC

2011

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Monte-Carlo simulations were used to study the radiolysis of liquid water at ο C when subjected to low linear energy transfer (LET) of 60 Co γ-ray radiation and fast neutrons of 2 and 0.8 MeV. The energy deposited in the early stage of 60 Co γ-ray irradiation was approximated by considering short segments (~150 µm) of 300 MeV proton tracks, corresponding to an average LET of ~0.3 keV/µm. In case of 2 MeV fast neutrons, the energy deposited was considered by using short segments (~5 µm) of energy at 1.264, 0.465, 0.171, 0.063 and 0.24 MeV. 0.8 MeV fast neutrons were approximated by 0.505, 0.186, 0.069 and 0.025 MeV protons. The effect of 0.4 M H 2 SO 4 solution on radiolysis was also studied by this method for both 60 Co γ-rays and 0.8 MeV fast neutrons. The simulated results at the time of 10 -7 s after irradiation were obtained and compared with the available experimental results published by other researchers to be in excellent agreement with them over the entire temperature ranges and radiation sources studied. Except for g(H 2 ) that increase with temperature rises, the general behaviors of higher radical products and lower molecular products at higher temperatures were obtained. The LET effect is also validated by this study, showing that the increase in LET would yield higher molecular and lower radical products. Studies on 0.4 M H 2 SO 4 solutions also show good agreement between the computed and experimental data for γ-ray irrradiation: the presence of 0.4 M H + , except for g(H 2 ) that gives lower value at 25 ο C and higher value at 325 ο C, gives the higher values for radicals and g(H 2 O 2 ) at 25 ο C and lower values at 325 ο C, compared with that for neutral water. The computed data show good agreement with the experimental data for 0.4 M H 2 SO 4 solutions induced by 0.8 MeV fast neutrons, except for g(H 2 ) and g(H •) that gives good agreement up to 50 ο C, then the opposite tendencies with the further temperature rises. However, the simulated fast neutron radiolysis on acidic demonstrates similar tendencies on temperature dependence with that for simulated 60 Co γ-radiolysis, but in different magnitude. For better understanding, more experimental data for fast neutrons are needed, especially under the acidic conditions.

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Influence of the parent cation on the thermalization of subexcitation electrons in solid water

Cited by 29 publications

References 0 publications

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Density dependence of the yield of hydrated electrons in the low-LET radiolysis of supercritical water at 400 °C: influence of the geminate recombination of subexcitation-energy electrons prior to thermalization

Monte-Carlo Simulation of γ-ray and Fast Neutron Radiolysis of Liquid Water and 0.4 <em>M</em> H<sub>2</sub>SO<sub>4</sub> Solutions at Temperatures up to 325<sup>o</sup>C

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Influence of the parent cation on the thermalization of subexcitation electrons in solid water

Cited by 29 publications

References 0 publications

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Generation of Ultrafast Transient Acid Spikes in High-Temperature Water Irradiated With Low Linear Energy Transfer Radiation

Density dependence of the yield of hydrated electrons in the low-LET radiolysis of supercritical water at 400 °C: influence of the geminate recombination of subexcitation-energy electrons prior to thermalization

Monte-Carlo Simulation of &gamma;-ray and Fast Neutron Radiolysis of Liquid Water and 0.4 <em>M</em> H<sub>2</sub>SO<sub>4</sub> Solutions at Temperatures up to 325<sup>o</sup>C

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Monte-Carlo Simulation of γ-ray and Fast Neutron Radiolysis of Liquid Water and 0.4 <em>M</em> H<sub>2</sub>SO<sub>4</sub> Solutions at Temperatures up to 325<sup>o</sup>C