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>

The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.