Thermodynamic and kinetic properties of calcium hydride

Calcium hydride has shown great potential as a hydrogen storage material and as a thermochemical energy storage material. To date, its high operating temperature (above 800 °C) has not only hindered its opportunity for technological application but also prevented detailed determination of its thermo...

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Main Authors: Balakrishnan, Sruthy, Humphries, Terry, Paskevicius, Mark, Buckley, Craig
Format: Journal Article
Published: 2023
Online Access:http://purl.org/au-research/grants/arc/DP200102301
http://hdl.handle.net/20.500.11937/94750
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author Balakrishnan, Sruthy
Humphries, Terry
Paskevicius, Mark
Buckley, Craig
author_facet Balakrishnan, Sruthy
Humphries, Terry
Paskevicius, Mark
Buckley, Craig
author_sort Balakrishnan, Sruthy
building Curtin Institutional Repository
collection Online Access
description Calcium hydride has shown great potential as a hydrogen storage material and as a thermochemical energy storage material. To date, its high operating temperature (above 800 °C) has not only hindered its opportunity for technological application but also prevented detailed determination of its thermodynamics of hydrogen sorption. In addition, calcium metal suffers from high volatility, high corrosivity from Ca (and CaH2), slow kinetics of hydrogen sorption, and the solubility of Ca in CaH2. In this work, a literature review of the wide-ranging thermodynamic properties of CaH2 is provided along with a detailed experimental investigation into the thermodynamic properties of molten and solid CaH2. The thermodynamic values of hydrogen release from both molten and solid CaH2 were determined as ΔHdes (molten CaH2) = 216 ± 10 kJ mol−1.H2, ΔSdes (molten CaH2) = 177 ± 9 J K−1 mol−1.H2, which equates to a 1 bar hydrogen equilibrium temperature for molten CaH2 of 947 ± 65 °C. Similarly, in the solid-state: ΔHdes (solid CaH2) = 172 ± 12 kJ mol−1.H2, ΔSdes (solid CaH2) = 144 ± 10 J K−1 mol−1.H2. Moreover, the activation energy of hydrogen release from CaH2 was also calculated using DSC analysis as Ea = 203 ± 12 kJ mol−1. This study provides the first thermodynamics for the Ca–H system in over 60 years, providing more accurate data on this emerging energy storage material.
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spelling curtin-20.500.11937-947502024-04-18T08:16:02Z Thermodynamic and kinetic properties of calcium hydride Balakrishnan, Sruthy Humphries, Terry Paskevicius, Mark Buckley, Craig Calcium hydride has shown great potential as a hydrogen storage material and as a thermochemical energy storage material. To date, its high operating temperature (above 800 °C) has not only hindered its opportunity for technological application but also prevented detailed determination of its thermodynamics of hydrogen sorption. In addition, calcium metal suffers from high volatility, high corrosivity from Ca (and CaH2), slow kinetics of hydrogen sorption, and the solubility of Ca in CaH2. In this work, a literature review of the wide-ranging thermodynamic properties of CaH2 is provided along with a detailed experimental investigation into the thermodynamic properties of molten and solid CaH2. The thermodynamic values of hydrogen release from both molten and solid CaH2 were determined as ΔHdes (molten CaH2) = 216 ± 10 kJ mol−1.H2, ΔSdes (molten CaH2) = 177 ± 9 J K−1 mol−1.H2, which equates to a 1 bar hydrogen equilibrium temperature for molten CaH2 of 947 ± 65 °C. Similarly, in the solid-state: ΔHdes (solid CaH2) = 172 ± 12 kJ mol−1.H2, ΔSdes (solid CaH2) = 144 ± 10 J K−1 mol−1.H2. Moreover, the activation energy of hydrogen release from CaH2 was also calculated using DSC analysis as Ea = 203 ± 12 kJ mol−1. This study provides the first thermodynamics for the Ca–H system in over 60 years, providing more accurate data on this emerging energy storage material. 2023 Journal Article http://hdl.handle.net/20.500.11937/94750 10.1016/j.ijhydene.2023.04.088 http://purl.org/au-research/grants/arc/DP200102301 http://creativecommons.org/licenses/by-nc-nd/4.0/ fulltext
spellingShingle Balakrishnan, Sruthy
Humphries, Terry
Paskevicius, Mark
Buckley, Craig
Thermodynamic and kinetic properties of calcium hydride
title Thermodynamic and kinetic properties of calcium hydride
title_full Thermodynamic and kinetic properties of calcium hydride
title_fullStr Thermodynamic and kinetic properties of calcium hydride
title_full_unstemmed Thermodynamic and kinetic properties of calcium hydride
title_short Thermodynamic and kinetic properties of calcium hydride
title_sort thermodynamic and kinetic properties of calcium hydride
url http://purl.org/au-research/grants/arc/DP200102301
http://hdl.handle.net/20.500.11937/94750