Bibliographic Citation
See/Add Document Discussions Return to Search Results Return to Original Search Page Download as EndNote
Full Text	443 K   View Full Text or Access Individual Pages  -   search, view and/or download individual pages
DOI	10.2172/895630
Title	Development of Sulfur and Carbon Tolerant Reforming Alloy Catalysts Aided by Fundamental Atomistics Insights
Creator/Author	Suljo Linic
Publication Date	2006 Aug 31
OSTI Identifier	OSTI ID: 895630
DOE Contract Number	FC26-05NT42516
DOI	10.2172/895630
Other Number(s)	TRN: US200719%%958
Resource Type	Technical Report
Coverage	Topical
Research Org	The Regents Of The University Of Michigan
Sponsoring Org	USDOE
Subject	03 NATURAL GAS; ALLOYS; CARBON; CATALYSTS; FUNCTIONALS; HYDROCARBONS; METHANE; POISONING; PROPANE; STEAM; SULFUR; TRANSFORMATIONS
Description/Abstract	Current hydrocarbon reforming catalysts suffer from rapid carbon and sulfur poisoning. Even though there is a tremendous incentive to develop more efficient catalysts, these materials are currently formulated using inefficient trial and error experimental approaches. We have utilized a novel hybrid experimental/theoretical approach, combining quantum Density Functional Theory (DFT) calculations and various state-of-the-art experimental tools, to formulate carbon tolerant reforming catalysts. We have employed DFT calculations to develop molecular insights into the elementary chemical transformations that lead to carbon poisoning of Ni catalysts. Based on the obtained molecular insights, we have identified, using DFT quantum calculation, Sn/Ni alloy as a potential carbon tolerant reforming catalyst. Sn/Ni alloy was synthesized and tested in steam reforming of methane, propane, and isooctane. We demonstrated that the alloy catalyst is carbon-tolerant under nearly stoichiometric steam-to-carbon ratios. Under these conditions, monometallic Ni is rapidly poisoned by sp2 carbon deposits. The research approach is distinguished by a few characteristics: (a) Knowledge-based, bottom-up approach, compared to the traditional trial and error approach, allows for a more efficient and systematic discovery of improved catalysts. (b) The focus is on exploring alloy materials which have been largely unexplored as potential reforming catalysts.
Country of Publication	United States
Language	English
System Entry Date	2007 Nov 01
Document Discussions Discuss	User Name:  (for display) Email Address:  (Email address will NOT be displayed.) Discussion Subject:    (All fields required. Document Discussions not displayed until approved.)
See/Add Document Discussions Return to Search Results Return to Original Search Page Download as EndNote
Top