Novel Materials for Catalysis and Fuel Processing: (1132 ACS Symposium Series)

Catalysis drives the majority of industrial chemical processes and is an essential element for the current fossil fuel based economy. Continual improvement and innovation in catalysis plays a key role in the development of more efficient and effective fuel processing technologies. To achieve this goal, novel catalysts need to be designed for chemical conversions running at much higher yields and with better selectivity, which can improve the economics and sustainability of these processes by reducing the consumption of raw materials,energy, and emissions to the environment. This book is based on contributions to the symposium "Novel Materials for Catalysis and Fuels Processing" that took place at the 243rd ACS National Meeting in San Diego, California on March, 2012. Many topics concerning the growing area of materials for catalysis and fuel processing were presented in this symposium, and they constitute the main content of this book, including theoretical and experimental advances in the areas of catalyst synthesis, characterization, and kinetics for renewable feedstocks conversion, alternative fuel production, emission control, selective reductive and oxidative processes, and carbon sequestration and transformation.This book contains 14 peer-reviewed chapters. These chapters have been organized in five sections: (I) general overview (Chapter 1), (II) computer-aided design (Chapters 2 and 3), (III) spectroscopic characterization (Chapter 4), (IV) kinetics-aided design (Chapter 5), and (V) applications of novel catalysts (Chapters 6 to 14). It will appeal to both basic and applied researchers in academia andindustry who would like a comprehensive overview of the most recent studies targeting the development of the next generation of catalysts. The selection of topics presented here touches upon current progress and development of novel materials and catalysts for fuels and chemicals processing.

Table of Contents:
Preface .............................................................................................................................. xi Part I: General Aspects 1. Design of Heterogeneous Catalysts for Fuels and Chemicals Processing: An Overview ................................................................................................................... 3 Juan J. Bravo-Suárez, Raghunath V. Chaudhari, and Bala Subramaniam Part II: Computer-Aided Design 2. Computational Studies of Structure and Catalytic Activity of Vanadia for Propane Oxidative Dehydrogenation ................................................................... 71 Lei Cheng and Larry A. Curtiss 3. Molecular Simulation of Carbon Capture in a Series of Isoreticular Zeolitic Imidazolate Materials ............................................................................................ 83 Yao Houndonougbo Part III: Spectroscopic Characterization 4. Utilizing Surface Enhanced Raman Spectroscopy for the Study of Interfacial Phenomena: Probing Interactions on an Alumina Surface .......... 101 Eric V. Formo, Zili Wu, Shannon M. Mahurin, and Sheng Dai Part IV: Kinetics-Aided Design 5. Interactions of Sulfur Oxides with Diesel Oxidation Catalysts (DOCs) ......... 117 Hom N. Sharma, Steven L. Suib, and Ashish B. Mhadeshwar Part V: Applications Hydrodesulfurization 6. Hydrodesulfurization Studies on SBA-16 Supported Molybdenum Hydrotreating Catalysts ...................................................................................... 161 Kapil Soni, Thallada Bhaskar, Manoj Kumar, Kamaraju Seetha Rama Rao, and Gudimella Murali Dhar Epoxidation 7. Characterization and Catalytic activity of CuDSTUD-1 for Styrene Epoxidation ........................................................................................................... 195 Muthusamy Poomalai Pachamuthu, Anand Ramanathan, Kannan Santhi, and Rajamanickam Maheswari 8. Rapid Room Temperature Synthesis of CeDSMCM-48: An Active Catalyst for trans-Stilbene Epoxidation with tert-Butyl Hydroperoxide ....................... 213 Anand Ramanathan, Rajamanickam Maheswari, Prem S. Thapa, and Bala Subramaniam Syngas Conversion 9. Rhodium Nanoparticles Confined in Ordered Mesoporous Carbon: Microscopic Characterization and Catalytic Application for Synthesis Gas Conversion to Ethanol ......................................................................................... 231 Song-Hai Chai, Jane Y. Howe, Michelle Kidder, Xiqing Wang, Viviane Schwartz, Steven H. Overbury, Sheng Dai, and De-en Jiang Dehydrogenation 10. Carbon-Mediated Catalysis: Oxidative Dehydrogenation on Graphitic Carbon .................................................................................................................. 247 Viviane Schwartz, Steven H. Overbury, and Chengdu Liang Emerging Areas ? Renewables Conversion 11. Supported Hybrid Enzyme-Organocatalysts for Upgrading the Carbon Content of Alcohols .............................................................................................. 261 Kapil Kandel, Stacey M. Althaus, Marek Pruski, and Igor I. Slowing 12. Activity and Selectivity of Base Promoted Mono and Bimetallic Catalysts for Hydrogenolysis of Xylitol and Sorbitol ........................................................ 273 Xin Jin, Bala Subramaniam, and Raghunath V. Chaudhari 13. The Effect of Calcination Temperature on the Properties and Hydrodeoxygenation Activity of Ni2P Catalysts Prepared Using Citric Acid ........................................................................................................................ 287 Victoria M. L. Whiffen and Kevin J. Smith 14. Hydrocarbon Production from Carboxylic Acids via Catalytic Deoxygenation: Required Catalytic Properties ................................................ 301 Zhong He and Xianqin Wang Editors' Biographies .................................................................................................... 331 Indexes Author Index ................................................................................................................ 335 Subject Index ................................................................................................................ 337

About the Author :
Juan J. Bravo-Suarez is affiliated with the Center for Environmentally Beneficial Catalysis. Michelle K. Kidder is affiliated with the Chemical Sciences Division at Oak Ridge National Laboratory. Viviane Schwartz is affiliated with the Center for Nanophase Materials Science at Oak Ridge National Laboratory.