The selective hydrogenation of multi-unsaturated hydrocarbons, especially in pyrolysis products, to corresponding mono-olefins is a widely exploited way for large-scale production of polymer-grade olefins and also upgrading of gasoline blending stocks. Thermodynamic and/or kinetic parameters could be responsible for directing the reaction network to a special product. This book deals with application of palladium-based catalysts in selective hydrogenation of alkynes and diens. It covers both fundamental and applied aspects of selective hydrogenation with special emphasis on the selectivity problem. The book is organized in rational way beginning with the electronic structure of palladium, followed by its catalytic properties, interaction with supports and transport limitations and commercial applications.

Discusses recent research and provides tutorial chapters on enhancing selectivity in catalysis through stereoselectivity, reaction pathway control, shape selectivity, and alloys and clusters. Presents an interdisciplinary approach to increasing selectivity in homogeneous and heterogeneous catalysis research. Includes an overview chapter that discusses the current state of the field and offers a perspective on future directions.

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 Pd–Ni 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.“/p>