Alkali/TX[sub 2] catalysts for CO/H[sub 2] conversion to C[sub 1]-C[sub 4] alcohols
The objective of this research is to determine the patterns of variations of catalyst activity and selectivity for the synthesis of alcohols from H[sub 2]/CO synthesis gas. Since the source of carbon can be coal-derived synthesis gas, this research makes a contribution to the technology for high quality clean transportation fuels and for basic chemicals from coal. Catalysts prepared were principally based on MoS[sub 2], RuS[sub 2], TaS[sub 2], and NbS[sub 2]. Catalytic testing of these materials was carried out both before and after surface doping with Cs. In alcohol synthesis activation of hydrogen by the catalyst surface is essential. Knowledge of transition metal disulfide surface properties is important before the mechanism of hydrogen dissociation can be addressed. The electronic structures of MoS[sub 2], RuS[sub 2], and NbS[sub 2] were studied both theoretically and experimentally. Experimental valence bands were obtained by high resolution electron spectroscopy for chemical analysis (HR-ESCA, also referred to as x-ray photoelectron spectroscopy) and theoretical valence bands were calculated using solid state extended Hueckel theory. Comparison of two-dimensional (2-D) MoS[sub 2] theoretical valence bands with the experimental HR-ESCA valence bands of polycrystalline MoS[sub 2] led to parametrization of the S 3s, S 3p, and Mo 4d atomic ionization potentials and Slater-type coefficients and exponents. The S 3s and S 3p parameters obtained for MoS[sub 2] were used to obtain the NbS[sub 2] and RuS[sub 2] theoretical valence bands.
- Research Organization:
- Lehigh Univ., Bethlehem, PA (United States)
- Sponsoring Organization:
- USDOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG22-88PC88933
- OSTI ID:
- 6518402
- Report Number(s):
- DOE/PC/88933-T2; ON: DE93012403
- Country of Publication:
- United States
- Language:
- English
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Alkali/TX sub 2 catalysts for CO/H sub 2 conversion to C sub 1 -C sub 4 alcohols
Alkali/TX sub 2 catalysts for CO/H sub 2 conversion to C sub 1 --C sub 4 alcohols. [T = Ru, Mo, Nb; X = S]
Related Subjects
10 SYNTHETIC FUELS
HYDROGEN
CHEMICAL ACTIVATION
MOLYBDENUM SULFIDES
CATALYTIC EFFECTS
NIOBIUM SULFIDES
RUTHENIUM SULFIDES
SYNTHESIS GAS
CONVERSION
TANTALUM SULFIDES
ALCOHOL FUELS
BINDING ENERGY
CARBON MONOXIDE
CESIUM
DOPED MATERIALS
ELECTRONIC STRUCTURE
PROGRESS REPORT
VALENCE
ALKALI METALS
CARBON COMPOUNDS
CARBON OXIDES
CHALCOGENIDES
DOCUMENT TYPES
ELEMENTS
ENERGY
FLUIDS
FUELS
GASES
MATERIALS
METALS
MOLYBDENUM COMPOUNDS
NIOBIUM COMPOUNDS
NONMETALS
OXIDES
OXYGEN COMPOUNDS
REFRACTORY METAL COMPOUNDS
RUTHENIUM COMPOUNDS
SULFIDES
SULFUR COMPOUNDS
SYNTHETIC FUELS
TANTALUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
010408* - Coal
Lignite
& Peat- C1 Processes- (1987-)
100200 - Synthetic Fuels- Production- (1990-)