By Ruijun Hou
This thesis bargains novel tools for catalyst and strategy layout for the selective hydrogenation of acetylene and 1,3-butadiene. the writer predicts the houses of supported Pd–Ni bimetallic catalysts utilizing density sensible idea (DFT) calculations and temperature-programmed desorption (TPD). the wonderful correlation among version surfaces and supported catalysts demonstrates the feasibility of designing potent bimetallic catalysts for selective hydrogenation reactions. the writer additionally proposes a mode for designing non-precious steel catalysts to switch worthy metals. she alters the method of selective hydrogenation of acetylene by means of coupling the selective adsorption to the selective hydrogenation within the liquid section, because of which the ethylene selectivity is tremendously more advantageous and warmth move is significantly more advantageous. finally, by way of examining the mechanism of liquid-phase hydrogenation, the writer proposes a multi-stage slurry mattress reactor for business applications.<
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Additional info for Catalytic and Process Study of the Selective Hydrogenation of Acetylene and 1,3-Butadiene
FT-IR spectroscopy was used to monitor the gas-phase concentrations of reactants and products during the hydrogenation 1,3-butadiene. The reaction chamber is located in the IR detector cell and is connected with the operation arm, pumps, and the pipelines. The pipelines are in connection with gas cylinders and liquid sources. The FT-IR spectra were recorded with 4 cm−1 resolution using a Thermo Nicolet Nexus 470 spectrometer equipped with a mercury cadmium telluride (MCT-A) detector. Before each experiment, the catalyst was pressed onto a tungsten mesh and was connected to the heating and thermocouple systems.
Khan NA, Uhl A, Shaikhutdinov S et al (2006) Alumina supported model Pd-Ag catalysts: a combined STM, XPS, TPD and IRAS study. Surf Sci 600(9):1849–1853 References 27 132. Khan NA, Shaikhutdinov S, Freund HJ (2006) Acetylene and ethylene hydrogenation on alumina supported Pd-Ag model catalysts. Catal Lett 108(3–4):159–164 133. Sheth PA, Neurock M, Smith CM (2005) First-principles analysis of the effects of alloying Pd with Ag for the catalytic hydrogenation of acetylene-ethylene mixtures. J Phys Chem B 109(25):12449–12466 134.
11 data analysis package (Athena, Aretmis, Atoms, and FEFF6) [9, 10]. The structural information was obtained by Fourier-transforming the absorbance signal into R-space and then ﬁtting each data set to the theoretical standards generated in FEFF6 . The theoretical monometallic photoelectron amplitude and phase were calculated for the bulk Pd fcc structure. 878 from ﬁtting the Pd-foil data. The seven parameters used in the ﬁtting procedure were the correction to the edge energy, the coordination numbers of the Pd– Pd and Pd–Ni bonds, corrections to their model interatomic distances, and the mean square deviations in interatomic distances (EXAFS Debye-Waller factors).