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This report is available in pdf format at https://science.energy.gov/bes/community-resources/reports/ REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP FOR CATALYSIS SCIENCE Technical Perspectives Factual Document RESOURCE DOCUMENT FOR THE BASIC ENERGY SCIENCES WORKSHOP ON BASIC RESEARCH NEEDS FOR CATALYSIS SCIENCE TO TRANSFORM ENERGY TECHNOLOGIES MAY 8–10, 2017 TECHNICAL PERSPECTIVES FACTUAL DOCUMENT I REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP FOR CATALYSIS SCIENCE II TECHNICAL PERSPECTIVES FACTUAL DOCUMENT REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP FOR CATALYSIS SCIENCE Table of Contents Abbreviations, Acronyms, and Initialisms ...........................................................................................................................vii Topic 1: Diversified Energy Feedstocks and Carriers .......................................................................................................1 1.1 The Evolving Role of Fossil Resources: Impact on U.S. Economy ..............................................................1 1.2 Catalytic Transformation of Shale Gas ...............................................................................................................4 1.2.1 Ethane, Propane, Butane Transformation .................................................................................................4 1.2.2 Methane Coupling ............................................................................................................................................ 7 1.2.3 Thermal Decomposition of Methane (Methane Cracking) to Carbon and Hydrogen ................8 1.2.4 Fluid Catalytic Cracking and Ethane Steam Cracking ..........................................................................8 1.2.5 Syngas and Hydrogen Production (Steam Reforming, Dry Reforming [CH4+CO2], Water-gas Shift) ...........................................................................................................................9 1.2.6 Fischer-Tropsch .................................................................................................................................................11 1.2.7 Methane-to-Methanol .....................................................................................................................................13 1.2.8 Methanol-to-Gasoline (MTG) Process ........................................................................................................14 1.2.9 Methanol-to-Olefins (MTO) Process .......................................................................................................... 15 1.2.10 Olefins-to-Gasoline and Middle Distillates (MOGD) Process ............................................................ 16 1.2.11 Conclusions and Outlook .............................................................................................................................17 1.3 Biomass and Food-Waste Conversion..............................................................................................................17 1.3.1 Gasification and Synthesis Gas Upgrading ............................................................................................ 19 1.3.2 Catalytic Fast Pyrolysis .................................................................................................................................20 1.3.3 Hydrothermal Liquefaction .......................................................................................................................... 21 1.3.4 Hydroprocessing and Refinery Co-processing ..................................................................................... 21 1.3.5. Hydrolysis and Fermentation ..................................................................................................................... 22 1.3.6 Catalytic Upgrading of C2+ Alcohols ....................................................................................................... 23 1.3.7 Aqueous Phase Processing and Catalytic Upgrading of Sugars and Other Biomass-derived Intermediates ................................................................................................................ 23 1.3.8 Lignin Deconstruction and Upgrading .................................................................................................... 24 1.3.9 Transesterification .......................................................................................................................................... 24 1.4 References ............................................................................................................................................................. 25 Topic 2: Novel Approaches to Energy Transformations ................................................................................................28 2.1 Characteristics of Renewable Sources of Electricity................................................................................... 28 2.1.1 Geographic Distribution of Resources .................................................................................................... 28 2.2 Electrocatalytic Transformation of CO2 into Chemical Feedstocks ......................................................... 30 2.2.1 Feedstocks for Downstream Processes ..................................................................................................31 2.3 Electrocatalytic Generation of H2 from Water: H2 at Scale ....................................................................... 32 2.3.1 Continuous Operation: Grid Electricity.................................................................................................... 32 2.3.2 Variable Operation: Wind and Solar Electricity .................................................................................... 35 TECHNICAL PERSPECTIVES FACTUAL DOCUMENT III REPORT OF THE BASIC RESEARCH NEEDS WORKSHOP FOR CATALYSIS SCIENCE 2.3.3 Downstream Uses for H2 from Water Splitting ..................................................................................... 36 2.3.4 Grid Electricity Storage Applications ....................................................................................................... 36 2.4 References ..............................................................................................................................................................37 Topic 3: Advanced Chemical Conversion Approaches ..................................................................................................40 3.1 Modular Processes: An Introduction to Modeling and Economies of Scale ......................................... 40 3.1.1 Fischer-Tropsch: Large-scale vs. Small-scale GTL and Velocys vs. “Ultra Scale” (PEARL) ................................................................................................................................... 42 3.1.2 Bioprocessing: Batch ....................................................................................................................................44 3.2 Low-temperature and Low-pressure Chemical Manufacturing and Fuels: Ammonia Synthesis ..............................................................................................................................................44 3.3 ‘Extreme’ Temperatures: Solar Thermal-assisted ........................................................................................47 3.4 Integrated Catalytic Processes ......................................................................................................................... 50 3.4.1 High-intensity FCC .........................................................................................................................................50 3.4.2 Membrane Reactors ...................................................................................................................................... 51 3.5 Non-food Waste to Fuels .................................................................................................................................. 53 3.5.1 Types of Waste ..............................................................................................................................................