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Title: Improving the Kinetics and Thermodynamics of Mg(BH 4) 2 for Hydrogen Storage

Abstract

The objective of this project is to (1) combine theory, synthesis, and characterization across multiple scales to understand the intrinsic kinetic and thermodynamic limitations in MgB 2/Mg(BH 4) 2; (2) construct and apply a flexible, validated, multiscale theoretical framework for modeling (de)hydrogenation kinetics of the Mg-B-H system and related metal hydrides; and (3) devise strategies for improving kinetics and thermodynamics, particularly through nanostructuring and doping. The project has an emphasis on understanding and improving rehydrogenation of MgB 2, which has generally been less explored and is key to enabling practical use.

Authors:
 [1];  [2];  [2];  [1];  [1];  [1];  [1];  [1];  [3];  [3]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  3. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1410039
Report Number(s):
LLNL-TR-741555
DOE Contract Number:
AC52-07NA27344
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 08 HYDROGEN; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wood, Brandon, Klebanoff, Lennie, Stavila, Vitalie, Heo, Tae Wook, Ray, Keith, Lee, Jonathan, Baker, Alex, Kang, ShinYoung, Yu, Hui-Chia, and Thornton, Katsuyo. Improving the Kinetics and Thermodynamics of Mg(BH4)2 for Hydrogen Storage. United States: N. p., 2017. Web. doi:10.2172/1410039.
Wood, Brandon, Klebanoff, Lennie, Stavila, Vitalie, Heo, Tae Wook, Ray, Keith, Lee, Jonathan, Baker, Alex, Kang, ShinYoung, Yu, Hui-Chia, & Thornton, Katsuyo. Improving the Kinetics and Thermodynamics of Mg(BH4)2 for Hydrogen Storage. United States. doi:10.2172/1410039.
Wood, Brandon, Klebanoff, Lennie, Stavila, Vitalie, Heo, Tae Wook, Ray, Keith, Lee, Jonathan, Baker, Alex, Kang, ShinYoung, Yu, Hui-Chia, and Thornton, Katsuyo. 2017. "Improving the Kinetics and Thermodynamics of Mg(BH4)2 for Hydrogen Storage". United States. doi:10.2172/1410039. https://www.osti.gov/servlets/purl/1410039.
@article{osti_1410039,
title = {Improving the Kinetics and Thermodynamics of Mg(BH4)2 for Hydrogen Storage},
author = {Wood, Brandon and Klebanoff, Lennie and Stavila, Vitalie and Heo, Tae Wook and Ray, Keith and Lee, Jonathan and Baker, Alex and Kang, ShinYoung and Yu, Hui-Chia and Thornton, Katsuyo},
abstractNote = {The objective of this project is to (1) combine theory, synthesis, and characterization across multiple scales to understand the intrinsic kinetic and thermodynamic limitations in MgB2/Mg(BH4)2; (2) construct and apply a flexible, validated, multiscale theoretical framework for modeling (de)hydrogenation kinetics of the Mg-B-H system and related metal hydrides; and (3) devise strategies for improving kinetics and thermodynamics, particularly through nanostructuring and doping. The project has an emphasis on understanding and improving rehydrogenation of MgB2, which has generally been less explored and is key to enabling practical use.},
doi = {10.2172/1410039},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2017,
month =
}

Technical Report:

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  • The presence of minute amounts of sulfur (10ppm) in nickel-base superalloys has been associated with reduced oxidation resistance and the premature spallation of protective coatings. Removal of sulfur by annealing these alloys in a hydrogen atmosphere has been successfully attempted by several researchers. This paper examines the fundamental thermodynamics and kinetics governing hydrogen desulfurization of elemental nickel. Limiting conditions for successful desulfurization are delineated. Assuming that the diffusion of sulfur is the rate limiting process of desulfurization, the effectiveness as well as time associated with hydrogen desulfurization is explored.
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