Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas
Evidence from density functional theory calculations that the main reaction pathway for the Fischer-Tropsch process on Co{0001} is not the carbide mechanism but an alternative branch starting with the hydrogenation of CO to an oxymethylidyne species. We show that hydrogenation is the main reaction p...
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| Format: | Journal article |
| Language: | English |
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2008
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| _version_ | 1826273121700675584 |
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| author | Inderwildi, O Jenkins, S King, D |
| author_facet | Inderwildi, O Jenkins, S King, D |
| author_sort | Inderwildi, O |
| collection | OXFORD |
| description | Evidence from density functional theory calculations that the main reaction pathway for the Fischer-Tropsch process on Co{0001} is not the carbide mechanism but an alternative branch starting with the hydrogenation of CO to an oxymethylidyne species. We show that hydrogenation is the main reaction path at realistic pressure using microkinetic simulations and thereby bridge the pressure gap in heterogeneous catalysis. © 2008 American Chemical Society. |
| first_indexed | 2024-03-06T22:23:22Z |
| format | Journal article |
| id | oxford-uuid:55cf5640-c097-437c-af12-d5c71c0313bc |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T22:23:22Z |
| publishDate | 2008 |
| record_format | dspace |
| spelling | oxford-uuid:55cf5640-c097-437c-af12-d5c71c0313bc2022-03-26T16:46:34ZFischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gasJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:55cf5640-c097-437c-af12-d5c71c0313bcEnglishSymplectic Elements at Oxford2008Inderwildi, OJenkins, SKing, DEvidence from density functional theory calculations that the main reaction pathway for the Fischer-Tropsch process on Co{0001} is not the carbide mechanism but an alternative branch starting with the hydrogenation of CO to an oxymethylidyne species. We show that hydrogenation is the main reaction path at realistic pressure using microkinetic simulations and thereby bridge the pressure gap in heterogeneous catalysis. © 2008 American Chemical Society. |
| spellingShingle | Inderwildi, O Jenkins, S King, D Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title | Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title_full | Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title_fullStr | Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title_full_unstemmed | Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title_short | Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas |
| title_sort | fischer tropsch mechanism revisited alternative pathways for the production of higher hydrocarbons from synthesis gas |
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