Abstract
LaNi5-based AB5 type alloy has high tolerance to CO2 poisoning for hydrogen purification and storage from 20 to 25% CO2 mixed gas. To elucidate the CO2 poisoning factors of AB5 type alloys, which are LaNi5, CaNi5, LaCo5, and MmNi4.025Co0.4Mn0.275Al0.3 (Mm-Ni), the dependence of the constituent elements has been investigated on hydrogenation degradation by CO2 poisoning. The tendency of CO2 poisoning magnitude is CaNi5 < LaNi5 << Mm-Ni < LaCo5, which was evaluated by the hydrogenation rate and capacity under CO2 partial pressure and after CO2 exposure. The Ni element of B site in CaNi5 and LaNi5 is an important role to maintain higher tolerance of CO2 poisoning compared to Co element in LaCo5. Moreover, the element of A site effects on CO2 poisoning magnitude in AB5 type alloy. The experimental tendency of CO2 poisoning magnitude is consistent with the theoretical CO2 adsorption energy on the (101¯0) surface plane of -1.39, -2.05, and -2.68 eV for CaNi5, LaNi5, and LaCo5, respectively. CO2 adsorbs on B site with electron charge transfer from AB5 alloys to carbon. Not only Ni element in B site but also Ca element in A site decreases the energy of CO2 adsorption on B site in AB5 type alloys.
| Original language | English |
|---|---|
| Pages (from-to) | 198-203 |
| Number of pages | 6 |
| Journal | Journal of Alloys and Compounds |
| Volume | 647 |
| DOIs | |
| Publication status | Published - 2015 Jul 1 |
| Externally published | Yes |
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Keywords
- Computer simulations
- Gas-solid reactions
- Hydrogen absorbing materials
- Kinetics
ASJC Scopus subject areas
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry
Cite this
Dependence of constituent elements of AB5 type metal hydrides on hydrogenation degradation by CO2 poisoning. / Hanada, Nobuko; Nakagawa, Tessui; Asada, Hirotaka; Ishida, Masayoshi; Takahashi, Keisuke; Isobe, Shigehito; Saita, Itoko; Asano, Kohta; Nakamura, Yumiko; Fujisawa, Akitoshi; Miura, Shinichi.
In: Journal of Alloys and Compounds, Vol. 647, 01.07.2015, p. 198-203.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Dependence of constituent elements of AB5 type metal hydrides on hydrogenation degradation by CO2 poisoning
AU - Hanada, Nobuko
AU - Nakagawa, Tessui
AU - Asada, Hirotaka
AU - Ishida, Masayoshi
AU - Takahashi, Keisuke
AU - Isobe, Shigehito
AU - Saita, Itoko
AU - Asano, Kohta
AU - Nakamura, Yumiko
AU - Fujisawa, Akitoshi
AU - Miura, Shinichi
PY - 2015/7/1
Y1 - 2015/7/1
N2 - LaNi5-based AB5 type alloy has high tolerance to CO2 poisoning for hydrogen purification and storage from 20 to 25% CO2 mixed gas. To elucidate the CO2 poisoning factors of AB5 type alloys, which are LaNi5, CaNi5, LaCo5, and MmNi4.025Co0.4Mn0.275Al0.3 (Mm-Ni), the dependence of the constituent elements has been investigated on hydrogenation degradation by CO2 poisoning. The tendency of CO2 poisoning magnitude is CaNi5 < LaNi5 << Mm-Ni < LaCo5, which was evaluated by the hydrogenation rate and capacity under CO2 partial pressure and after CO2 exposure. The Ni element of B site in CaNi5 and LaNi5 is an important role to maintain higher tolerance of CO2 poisoning compared to Co element in LaCo5. Moreover, the element of A site effects on CO2 poisoning magnitude in AB5 type alloy. The experimental tendency of CO2 poisoning magnitude is consistent with the theoretical CO2 adsorption energy on the (101¯0) surface plane of -1.39, -2.05, and -2.68 eV for CaNi5, LaNi5, and LaCo5, respectively. CO2 adsorbs on B site with electron charge transfer from AB5 alloys to carbon. Not only Ni element in B site but also Ca element in A site decreases the energy of CO2 adsorption on B site in AB5 type alloys.
AB - LaNi5-based AB5 type alloy has high tolerance to CO2 poisoning for hydrogen purification and storage from 20 to 25% CO2 mixed gas. To elucidate the CO2 poisoning factors of AB5 type alloys, which are LaNi5, CaNi5, LaCo5, and MmNi4.025Co0.4Mn0.275Al0.3 (Mm-Ni), the dependence of the constituent elements has been investigated on hydrogenation degradation by CO2 poisoning. The tendency of CO2 poisoning magnitude is CaNi5 < LaNi5 << Mm-Ni < LaCo5, which was evaluated by the hydrogenation rate and capacity under CO2 partial pressure and after CO2 exposure. The Ni element of B site in CaNi5 and LaNi5 is an important role to maintain higher tolerance of CO2 poisoning compared to Co element in LaCo5. Moreover, the element of A site effects on CO2 poisoning magnitude in AB5 type alloy. The experimental tendency of CO2 poisoning magnitude is consistent with the theoretical CO2 adsorption energy on the (101¯0) surface plane of -1.39, -2.05, and -2.68 eV for CaNi5, LaNi5, and LaCo5, respectively. CO2 adsorbs on B site with electron charge transfer from AB5 alloys to carbon. Not only Ni element in B site but also Ca element in A site decreases the energy of CO2 adsorption on B site in AB5 type alloys.
KW - Computer simulations
KW - Gas-solid reactions
KW - Hydrogen absorbing materials
KW - Kinetics
UR - http://www.scopus.com/inward/record.url?scp=84933507684&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84933507684&partnerID=8YFLogxK
U2 - 10.1016/j.jallcom.2015.05.253
DO - 10.1016/j.jallcom.2015.05.253
M3 - Article
AN - SCOPUS:84933507684
VL - 647
SP - 198
EP - 203
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
SN - 0925-8388
ER -