This thesis offers novel methods for catalyst and process design for the selective hydrogenation of acetylene and 1,3-butadiene. The author predicts the properties of supported PdNi bimetallic catalysts using density functional theory (DFT) calculations and temperature-programmed desorption (TPD). The excellent correlation between model surfaces and supported catalysts demonstrates the feasibility of designing effective bimetallic catalysts for selective hydrogenation reactions. The author also proposes a method for designing non-precious metal catalysts to replace precious metals. She modifies the process of selective hydrogenation of acetylene by coupling the selective adsorption to the selective hydrogenation in the liquid phase, as a result of which the ethylene selectivity is greatly improved and heat transfer is greatly enhanced. Lastly, by analyzing the mechanism of liquid-phase hydrogenation, the author proposes a multi-stage slurry bed reactor for industrial applications.<

Nominated by Tsinghua University as an outstanding Ph.D. thesis Reports on important advances in catalysis for selective hydrogenation Combines theoretical and experimental research to deliver a novel method for catalyst design Provides a novel procedure in the liquid phase for acetylene hydrogenation Includes supplementary material: sn.pub/extras

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Inhalt

Introduction.- Experimental and Theoretical Methods.- Design of Pd-Ni Bimetallic Catalyst.- Effect of Oxide Supports on PdNi Bimetallic Catalysts.- Replacing Precious Metals with Carbide Catalysts.- Liquid Phase Hydrogenation of Acetylene.- Conclusion.