Adsorption thermodynamics of sulfur- and nitrogen-containing molecules on NiMoS : a DFT study
Adsorption thermodynamics of sulfur- and nitrogen-containing molecules on NiMoS : a DFT study
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Publisher
Dordrecht: Springer
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Language
English
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Dordrecht: Springer
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Scope and Contents
Contents
Detailed adsorption thermodynamic data of organosulfur and organonitrogen molecules on NiMoS hydrotreating catalyst active sites were studied by density-functional theory (DFT) calculations. Initially, the adsorption of the molecules on the NiMoS edge surface is studied, and the most stable configuration for each molecule is identified. The changes...
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Full title
Adsorption thermodynamics of sulfur- and nitrogen-containing molecules on NiMoS : a DFT study
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TN_cdi_proquest_journals_2258972666
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2258972666
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ISSN
1011-372X
E-ISSN
1572-879X
DOI
10.1007/s10562-006-0069-z
