High pressure in situ diffraction studies of metal-hydrogen systems
Identifieur interne : 006A46 ( Main/Exploration ); précédent : 006A45; suivant : 006A47High pressure in situ diffraction studies of metal-hydrogen systems
Auteurs : V. A. Yartys [Norvège] ; R. V. Denys [Norvège, Ukraine] ; C. J. Webb [Australie] ; J. P. Maehlen [Norvège] ; E. Maca. Gray [Australie] ; T. Blach [Australie] ; O. Isnard [France] ; L. C. Barnsley [Australie]Source :
- Journal of alloys and compounds [ 0925-8388 ] ; 2011.
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- Pascal (Inist)
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Abstract
"Hybrid" hydrogen storage, where hydrogen is stored in both the solid material and as a high pressure gas in the void volume of the tank can improve overall system efficiency by up to 50% compared to either compressed hydrogen or solid materials alone. Thermodynamically, high equilibrium hydrogen pressures in metal-hydrogen systems correspond to low enthalpies of hydrogen absorption-desorption. This decreases the calorimetric effects of the hydride formation-decomposition processes which can assist in achieving high rates of heat exchange during hydrogen loading-removing the bottleneck in achieving low charging times and improving overall hydrogen storage efficiency of large hydrogen stores. Two systems with hydrogenation enthalpies close to -20 kJ/mol H2 were studied to investigate the hydrogenation mechanism and kinetics: CeNi5-D2 and ZrFe2-xAlx (x = 0.02; 0.04; 0.20)-D2. The structure of the intermetallics and their hydrides were studied by in situ neutron powder diffraction at pressures up to 1000 bar and complementary X-ray diffraction. The deuteration of the hexagonal CeNis intermetallic resulted in CeNi5D6.3 with a volume expansion of 30.1 %. Deuterium absorption filled three different types of interstices, Ce2Ni2 and Ni4 tetrahedra, and Ce2Ni3 half-octahedra and was accompanied by a valence change for Ce. Significant hysteresis was observed between deuterium absorption and desorption which profoundly decreased on a second absorption cycle. For the Al-modified Laves-type C15 ZrFe2-xAlx intermetallics, deuteration showed very fast kinetics of H/D exchange and resulted in a volume increase of the FCC unit cells of 23.5% for ZrFe1.98Al0.02D2.9(1). Deuterium content, hysteresis of H/D uptake and release, unit cell expansion and stability of the hydrides systematically change with the amount of Al content. In the deuteride D atoms exclusively occupy the Zr2(Fe,Al)2 tetrahedra. Observed interatomic distances are Zr-D = 1.98-2.11; (Fe, Al)-D = 1.70-1.75 A. Hydrogenation slightly increases the magnetic moment of the Fe atoms inZrFe1.98Al0.02 and ZrFe1.96Al0.04 from 1.9 μB at room temperature for the alloy to 2.2 μB for its deuteride.
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A." last="Yartys">V. A. Yartys</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute for Energy Technology</s1><s2>Kjeller NO 2027</s2><s3>NOR</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Norvège</country><wicri:noRegion>Institute for Energy Technology</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Norwegian University of Science and Technology</s1><s2>Trondheim NO 7491</s2><s3>NOR</s3><sZ>1 aut.</sZ></inist:fA14><country>Norvège</country><wicri:noRegion>Norwegian University of Science and Technology</wicri:noRegion></affiliation></author><author><name sortKey="Denys, R V" sort="Denys, R V" uniqKey="Denys R" first="R. V." last="Denys">R. V. Denys</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute for Energy Technology</s1><s2>Kjeller NO 2027</s2><s3>NOR</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Norvège</country><wicri:noRegion>Institute for Energy Technology</wicri:noRegion></affiliation><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Karpenko Physico-Mechanical Institute, NAS of Ukraine</s1><s2>Lviv 79601</s2><s3>UKR</s3><sZ>2 aut.</sZ></inist:fA14><country>Ukraine</country><wicri:noRegion>Lviv 79601</wicri:noRegion></affiliation></author><author><name sortKey="Webb, C J" sort="Webb, C J" uniqKey="Webb C" first="C. J." last="Webb">C. J. Webb</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Queensland Micro- and Nanotechnology Centre, Griffith University</s1><s3>AUS</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>8 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Queensland Micro- and Nanotechnology Centre, Griffith University</wicri:noRegion></affiliation></author><author><name sortKey="Maehlen, J P" sort="Maehlen, J P" uniqKey="Maehlen J" first="J. P." last="Maehlen">J. P. Maehlen</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Institute for Energy Technology</s1><s2>Kjeller NO 2027</s2><s3>NOR</s3><sZ>1 aut.</sZ><sZ>2 aut.</sZ><sZ>4 aut.</sZ></inist:fA14><country>Norvège</country><wicri:noRegion>Institute for Energy Technology</wicri:noRegion></affiliation></author><author><name sortKey="Gray, E Maca" sort="Gray, E Maca" uniqKey="Gray E" first="E. Maca." last="Gray">E. Maca. Gray</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Queensland Micro- and Nanotechnology Centre, Griffith University</s1><s3>AUS</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>8 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Queensland Micro- and Nanotechnology Centre, Griffith University</wicri:noRegion></affiliation></author><author><name sortKey="Blach, T" sort="Blach, T" uniqKey="Blach T" first="T." last="Blach">T. Blach</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Queensland Micro- and Nanotechnology Centre, Griffith University</s1><s3>AUS</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>8 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Queensland Micro- and Nanotechnology Centre, Griffith University</wicri:noRegion></affiliation></author><author><name sortKey="Isnard, O" sort="Isnard, O" uniqKey="Isnard O" first="O." last="Isnard">O. Isnard</name><affiliation wicri:level="1"><inist:fA14 i1="05"><s1>Institute Néel, CNRS/UJF</s1><s2>38042 Grenoble</s2><s3>FRA</s3><sZ>7 aut.</sZ></inist:fA14><country>France</country><wicri:noRegion>38042 Grenoble</wicri:noRegion><placeName><settlement type="city">Grenoble</settlement><region type="region" nuts="2">Auvergne-Rhône-Alpes</region><region type="old region" nuts="2">Rhône-Alpes</region></placeName></affiliation></author><author><name sortKey="Barnsley, L C" sort="Barnsley, L C" uniqKey="Barnsley L" first="L. C." last="Barnsley">L. C. Barnsley</name><affiliation wicri:level="1"><inist:fA14 i1="04"><s1>Queensland Micro- and Nanotechnology Centre, Griffith University</s1><s3>AUS</s3><sZ>3 aut.</sZ><sZ>5 aut.</sZ><sZ>6 aut.</sZ><sZ>8 aut.</sZ></inist:fA14><country>Australie</country><wicri:noRegion>Queensland Micro- and Nanotechnology Centre, Griffith University</wicri:noRegion></affiliation></author></analytic><series><title level="j" type="main">Journal of alloys and compounds</title><title level="j" type="abbreviated">J. alloys compd.</title><idno type="ISSN">0925-8388</idno><imprint><date when="2011">2011</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Journal of alloys and compounds</title><title level="j" type="abbreviated">J. alloys compd.</title><idno type="ISSN">0925-8388</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Crystalline structure</term><term>Desorption</term><term>Deuterides</term><term>Enthalpy</term><term>High pressure</term><term>Hydrides</term><term>Hydrogen storage</term><term>Hydrogenation</term><term>Intermetallic compound</term><term>Kinetics</term><term>Laves phase</term><term>Magnetization</term><term>Metal Alloys</term><term>Neutron diffraction</term><term>Volume expansion</term><term>X ray diffraction</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Haute pression</term><term>Stockage hydrogène</term><term>Structure cristalline</term><term>Enthalpie</term><term>Désorption</term><term>Aimantation</term><term>Hydrogénation</term><term>Cinétique</term><term>Diffraction neutron</term><term>Diffraction RX</term><term>Métal Alliage</term><term>Expansion volume</term><term>Hydrure</term><term>Composé intermétallique</term><term>Phase Laves</term><term>Deutériure</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">"Hybrid" hydrogen storage, where hydrogen is stored in both the solid material and as a high pressure gas in the void volume of the tank can improve overall system efficiency by up to 50% compared to either compressed hydrogen or solid materials alone. Thermodynamically, high equilibrium hydrogen pressures in metal-hydrogen systems correspond to low enthalpies of hydrogen absorption-desorption. This decreases the calorimetric effects of the hydride formation-decomposition processes which can assist in achieving high rates of heat exchange during hydrogen loading-removing the bottleneck in achieving low charging times and improving overall hydrogen storage efficiency of large hydrogen stores. Two systems with hydrogenation enthalpies close to -20 kJ/mol H<sub>2</sub> were studied to investigate the hydrogenation mechanism and kinetics: CeNi<sub>5</sub>-D<sub>2</sub> and ZrFe<sub>2-x</sub>Al<sub>x</sub> (x = 0.02; 0.04; 0.20)-D<sub>2</sub>. The structure of the intermetallics and their hydrides were studied by in situ neutron powder diffraction at pressures up to 1000 bar and complementary X-ray diffraction. The deuteration of the hexagonal CeNi<sub>s</sub> intermetallic resulted in CeNi<sub>5</sub>D<sub>6</sub>.<sub>3</sub> with a volume expansion of 30.1 %. Deuterium absorption filled three different types of interstices, Ce<sub>2</sub>Ni<sub>2</sub> and Ni<sub>4</sub> tetrahedra, and Ce<sub>2</sub>Ni<sub>3</sub> half-octahedra and was accompanied by a valence change for Ce. Significant hysteresis was observed between deuterium absorption and desorption which profoundly decreased on a second absorption cycle. For the Al-modified Laves-type C15 ZrFe<sub>2-x</sub>Al<sub>x</sub> intermetallics, deuteration showed very fast kinetics of H/D exchange and resulted in a volume increase of the FCC unit cells of 23.5% for ZrFe<sub>1.98</sub>Al<sub>0.02</sub>D<sub>2.9(1)</sub>. Deuterium content, hysteresis of H/D uptake and release, unit cell expansion and stability of the hydrides systematically change with the amount of Al content. In the deuteride D atoms exclusively occupy the Zr<sub>2</sub>(Fe,Al)<sub>2</sub> tetrahedra. Observed interatomic distances are Zr-D = 1.98-2.11; (Fe, Al)-D <sub>=</sub> 1.70-1.75 A. Hydrogenation slightly increases the magnetic moment of the Fe atoms inZrFe<sub>1</sub>.<sub>98</sub>Al<sub>0.02</sub> and ZrFe<sub>1.96</sub>Al<sub>0.04</sub> from 1.9 μ<sub>B</sub> at room temperature for the alloy to 2.2 μ<sub>B</sub> for its deuteride.</div></front></TEI><affiliations><list><country><li>Australie</li><li>France</li><li>Norvège</li><li>Ukraine</li></country><region><li>Auvergne-Rhône-Alpes</li><li>Rhône-Alpes</li></region><settlement><li>Grenoble</li></settlement></list><tree><country name="Norvège"><noRegion><name sortKey="Yartys, V A" sort="Yartys, V A" uniqKey="Yartys V" first="V. A." last="Yartys">V. A. Yartys</name></noRegion><name sortKey="Denys, R V" sort="Denys, R V" uniqKey="Denys R" first="R. V." last="Denys">R. V. Denys</name><name sortKey="Maehlen, J P" sort="Maehlen, J P" uniqKey="Maehlen J" first="J. P." last="Maehlen">J. P. Maehlen</name><name sortKey="Yartys, V A" sort="Yartys, V A" uniqKey="Yartys V" first="V. A." last="Yartys">V. A. Yartys</name></country><country name="Ukraine"><noRegion><name sortKey="Denys, R V" sort="Denys, R V" uniqKey="Denys R" first="R. V." last="Denys">R. V. Denys</name></noRegion></country><country name="Australie"><noRegion><name sortKey="Webb, C J" sort="Webb, C J" uniqKey="Webb C" first="C. J." last="Webb">C. J. Webb</name></noRegion><name sortKey="Barnsley, L C" sort="Barnsley, L C" uniqKey="Barnsley L" first="L. C." last="Barnsley">L. C. Barnsley</name><name sortKey="Blach, T" sort="Blach, T" uniqKey="Blach T" first="T." last="Blach">T. Blach</name><name sortKey="Gray, E Maca" sort="Gray, E Maca" uniqKey="Gray E" first="E. Maca." last="Gray">E. Maca. Gray</name></country><country name="France"><region name="Auvergne-Rhône-Alpes"><name sortKey="Isnard, O" sort="Isnard, O" uniqKey="Isnard O" first="O." last="Isnard">O. Isnard</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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