Radiolysis of supercritical water at 400 °C: density dependence of the rate constant for the reaction of hydronium ions with hydrated electrons

Literature Information

Publication Date 2019-04-23
DOI 10.1039/C9CP01190K
Impact Factor 3.676
Authors

Jintana Meesungnoen, Jean-Paul Jay-Gerin


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Abstract

The rate constant, k(eaq− + H3O+), for the reaction of hydronium ions with hydrated electrons in supercritical water (SCW) at 400 °C has been evaluated as a function of water density using Monte Carlo track chemistry simulations of the radiolysis of SCW over the range of 0.15–0.6 g cm−3. Results are consistent with recent predictions using the so-called “cage effect” model.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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