Abstract
Ammonia borane (AB) containing 19.6 wt % hydrogen is among the strongest candidates for hydrogen storage on-board fuel cell vehicles, though efficient means for hydrogenating the spent material are needed. We are investigating a scheme in which spent material is digested to BX3 using common HX reagents. The hydride affinity of BX3 is a key factor in selecting HX to optimize the efficiency of AB regeneration. We have calculated hydride affinities of various BX3 compounds using a simple isodesmic reaction scheme. The results show hydride affinity depends on the heteroatom attached to boron, as well as the nature of the organic group. These calculations suggest that BX3 compounds with X = SR, SAr and OAr are among the strongest candidates for use in regeneration schemes. Results of these calculations and supporting experiments will be presented. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.
| Original language | English |
|---|---|
| Title of host publication | ACS National Meeting Book of Abstracts |
| Publication status | Published - 2008 |
| Event | 236th National Meeting and Exposition of the American Chemical Society, ACS 2008 - Philadelpia, PA, United States Duration: Aug 17 2008 → Aug 21 2008 |
Other
| Other | 236th National Meeting and Exposition of the American Chemical Society, ACS 2008 |
|---|---|
| Country | United States |
| City | Philadelpia, PA |
| Period | 8/17/08 → 8/21/08 |
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ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)
Cite this
Toward the regeneration of ammonia borane : Modeling hydride transfer to prospective BX3 compounds. / Potter, Robert G.; Mock, Michael T.; Li, Jun; Camaioni, Donald M.; DuBois, Daniel L.
ACS National Meeting Book of Abstracts. 2008.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
TY - GEN
T1 - Toward the regeneration of ammonia borane
T2 - Modeling hydride transfer to prospective BX3 compounds
AU - Potter, Robert G.
AU - Mock, Michael T.
AU - Li, Jun
AU - Camaioni, Donald M.
AU - DuBois, Daniel L
PY - 2008
Y1 - 2008
N2 - Ammonia borane (AB) containing 19.6 wt % hydrogen is among the strongest candidates for hydrogen storage on-board fuel cell vehicles, though efficient means for hydrogenating the spent material are needed. We are investigating a scheme in which spent material is digested to BX3 using common HX reagents. The hydride affinity of BX3 is a key factor in selecting HX to optimize the efficiency of AB regeneration. We have calculated hydride affinities of various BX3 compounds using a simple isodesmic reaction scheme. The results show hydride affinity depends on the heteroatom attached to boron, as well as the nature of the organic group. These calculations suggest that BX3 compounds with X = SR, SAr and OAr are among the strongest candidates for use in regeneration schemes. Results of these calculations and supporting experiments will be presented. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.
AB - Ammonia borane (AB) containing 19.6 wt % hydrogen is among the strongest candidates for hydrogen storage on-board fuel cell vehicles, though efficient means for hydrogenating the spent material are needed. We are investigating a scheme in which spent material is digested to BX3 using common HX reagents. The hydride affinity of BX3 is a key factor in selecting HX to optimize the efficiency of AB regeneration. We have calculated hydride affinities of various BX3 compounds using a simple isodesmic reaction scheme. The results show hydride affinity depends on the heteroatom attached to boron, as well as the nature of the organic group. These calculations suggest that BX3 compounds with X = SR, SAr and OAr are among the strongest candidates for use in regeneration schemes. Results of these calculations and supporting experiments will be presented. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.
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UR - http://www.scopus.com/inward/citedby.url?scp=77955912833&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:77955912833
SN - 9780841269941
BT - ACS National Meeting Book of Abstracts
ER -