Mechanism of formaldehyde steam reforming on Ir(100).
To overcome the problem of depleting reserves of fossil fuels, hydrogen has been proposed as an alternative source of energy. The problem of hydrogen storage can be circumvented through the use of on board hydrogen production. The usage of formaldehyde proves to be a viable source of hydrogen via fo...
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| Other Authors: | |
| Format: | Final Year Project (FYP) |
| Language: | English |
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2010
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| Online Access: | http://hdl.handle.net/10356/39987 |
| _version_ | 1826112166642581504 |
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| author | Yeo, Dixon Wei Jack. |
| author2 | Lim Kok Hwa |
| author_facet | Lim Kok Hwa Yeo, Dixon Wei Jack. |
| author_sort | Yeo, Dixon Wei Jack. |
| collection | NTU |
| description | To overcome the problem of depleting reserves of fossil fuels, hydrogen has been proposed as an alternative source of energy. The problem of hydrogen storage can be circumvented through the use of on board hydrogen production. The usage of formaldehyde proves to be a viable source of hydrogen via formaldehyde steam reforming. The investigation of the molecules involved in steam reforming of formaldehyde on Iridium (100) catalyst was carried out via simulations in Vienna ab initio simulation package (VASP). These molecules or adsorbates include: H, C, O, OH, CO, CO2, CHO, HCOO, HCHO, COOHu, COOHd, HCOOHu, HCOOHd, H2COO and H2COOH.The adsorptions were investigated at the Bridge, Hollow, Top and Long Bridge sites. Based on the binding energies from the adsorption of the most stable sites, Ir forms stronger bonds with the species compared to other catalyst such as Pd, Pt and Cu. From the reaction energies, decomposition of formaldehyde shows to be the most thermodynamically feasible pathway for formaldehyde steam reforming. |
| first_indexed | 2024-10-01T03:02:31Z |
| format | Final Year Project (FYP) |
| id | ntu-10356/39987 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T03:02:31Z |
| publishDate | 2010 |
| record_format | dspace |
| spelling | ntu-10356/399872023-03-03T15:32:52Z Mechanism of formaldehyde steam reforming on Ir(100). Yeo, Dixon Wei Jack. Lim Kok Hwa School of Chemical and Biomedical Engineering DRNTU::Engineering::Chemical engineering::Chemical processes To overcome the problem of depleting reserves of fossil fuels, hydrogen has been proposed as an alternative source of energy. The problem of hydrogen storage can be circumvented through the use of on board hydrogen production. The usage of formaldehyde proves to be a viable source of hydrogen via formaldehyde steam reforming. The investigation of the molecules involved in steam reforming of formaldehyde on Iridium (100) catalyst was carried out via simulations in Vienna ab initio simulation package (VASP). These molecules or adsorbates include: H, C, O, OH, CO, CO2, CHO, HCOO, HCHO, COOHu, COOHd, HCOOHu, HCOOHd, H2COO and H2COOH.The adsorptions were investigated at the Bridge, Hollow, Top and Long Bridge sites. Based on the binding energies from the adsorption of the most stable sites, Ir forms stronger bonds with the species compared to other catalyst such as Pd, Pt and Cu. From the reaction energies, decomposition of formaldehyde shows to be the most thermodynamically feasible pathway for formaldehyde steam reforming. Bachelor of Engineering (Chemical and Biomolecular Engineering) 2010-06-09T00:36:26Z 2010-06-09T00:36:26Z 2010 2010 Final Year Project (FYP) http://hdl.handle.net/10356/39987 en Nanyang Technological University 64 p. application/pdf |
| spellingShingle | DRNTU::Engineering::Chemical engineering::Chemical processes Yeo, Dixon Wei Jack. Mechanism of formaldehyde steam reforming on Ir(100). |
| title | Mechanism of formaldehyde steam reforming on Ir(100). |
| title_full | Mechanism of formaldehyde steam reforming on Ir(100). |
| title_fullStr | Mechanism of formaldehyde steam reforming on Ir(100). |
| title_full_unstemmed | Mechanism of formaldehyde steam reforming on Ir(100). |
| title_short | Mechanism of formaldehyde steam reforming on Ir(100). |
| title_sort | mechanism of formaldehyde steam reforming on ir 100 |
| topic | DRNTU::Engineering::Chemical engineering::Chemical processes |
| url | http://hdl.handle.net/10356/39987 |
| work_keys_str_mv | AT yeodixonweijack mechanismofformaldehydesteamreformingonir100 |