Semi-Empirical Material Model for Hydrogen Uptake Kinetics by 1,4-bis(phenylethynyl)benzene (DEB)-based Getters

Technical Report · Mon Oct 05 00:00:00 EDT 2020

DOI:https://doi.org/10.2172/1673346· OSTI ID:1673346

Safarik, Douglas Joseph ^[1]; Aloi, Michael J. ^[1]; Nobile, Jr., Arthur ^[1]

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1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

We report on development of a semi-empirical model describing the kinetics of H₂/D₂ reaction with 1,4-bis(phenylethynyl)benzene (DEB)-based getters in pellet and powder form. The physical basis of the model is solid-state diffusion of DEB plus reaction of DEB with H atoms on the surface of nanometer-scale Pd catalyst particles. The purpose of this material model is to facilitate more accurate predictions of performance for DEB-based getter assemblies. These predictions will be accomplished by integrating the model presented here into finite element, reaction/diffusion simulations of getter assembly hydrogen uptake performance. As of Fall 2020, this integration is underway.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: 89233218CNA000001
• OSTI ID: 1673346
• Report Number(s): LA-UR--20-28106
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
hydrogen getter
reaction kinetics