INVESTIGATING THE PRODUCTION AND USE OF TRANSPORTATION FUELS FROM INDIANA COALS

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INVESTIGATING THE PRODUCTION AND USE OF TRANSPORTATION FUELS FROM INDIANA COALS A presentation to the Advisory Panel of The Indiana Center for Coal Technology Research John Abraham, Mechanical Engineering Rakesh Agrawal, Chemical Engineering William Anderson, Aeronautics and Astronautics Gary Blau, Discovery Park James Caruthers, Chemical Engineering W. Nicholas Delgass, Chemical Engineering Jay P. Gore, Mechanical Engineering Stephen Heister, Aeronautics and Astronautics Hilkka Kenttämaa, Chemistry Robert D. Lucht, Mechanical Engineering Fabio H. Ribeiro, Chemical Engineering Yuan Zheng, Mechanical Engineering Purdue Calumet, Hammond December 6, 2006

Integrated Strategy Fuel performance is governed by its molecular make up Discover molecule/performance relation (MPR) by engine testing Use MPR and economic trade offs to define goals for FT fuel production Develop high resolution fuel analysis to understand and control fuel composition, including low concentration problem species

Production Issues and Fischer-Tropsch Rakesh Agrawal, Gary Blau, W. Nick Delgass, Fabio Ribeiro School of Chemical Engineering College of Engineering Hilkka Kenttämaa Department of Chemistry College of Science

Coal To Liquids, CTL Molecular level characterization of F-T fuels needed to establish relationships between fuel composition and Fischer Tropsch reaction conditions Fuel refining methods Fuel performance in engines

F-T Fuel Characterization No commercial methodology exists for detailed characterization of very complex hydrocarbon mixtures Hence, new analytical methods must be developed for F-T-fuel analysis These special methodologies are best implemented on ultra-high resolution mass spectrometry because of the molecular complexity of the fuels

Most promising analytical approach: - Laser-induced acoustic desorption (developed at Purdue) - Ionization with chemical reactions specifically developed to ionize hydrocarbons without fragmentation - Ultra-high resolution FT-ICR mass spectrometry First steps: - Test the existing methodology (medium-resolution) - Use existing F-T fuels and pure compound blends Goals: - Determine the critical areas (in addition to resolution) that need improvement for complete F-T fuel characterization

Goals: - Make initial correlations between fuel s molecular composition and performance information obtained by the engine testing group - This information will aid the F-T production group in optimization of the selectivity of the F-T process - Preliminary characterization of F-T fuels generated by the production group will lead to initial correlations between the fuel composition and F-T catalyst composition and reaction conditions All the above correlations must be re-evaluated when analytical procedures have been developed for complete F-T fuel characterization

Production of F-T Fuels: Four major focus areas identified Optimizing Selectivity Fischer-Tropsch Mechanism Integration of F-T Mechanism with reactant consumption and product distribution CO 2 recycle

Implications of CTL Integration Our idea is to develop the facility to quickly add new chemistries to a full plant model so we can immediately understand their implications to the final product cost

Integration of F-T Mechanism with Reactant Consumption and Product Distribution None of the available models are accurate enough Lack of reliable kinetic equations for all products Models combining overall consumption of reactants and product distribution are scarce in the literature

Performance of FT Fuels in Diesel Engines John Abraham, ME Jim Caruthers, CHE

FT Diesel Fuels Research Integrated program focusing on fuel modification and engine and aftertreatment designs will maximize benefits of utilizing FT fuels. Diesel engine designers are faced with challenge of reducing particulate and NO x emissions. Need for aftertreatment devices and high levels of exhaust gas recirculation in current engines. Results in increased cost. Process modification can change FT fuels to meet specific requirements, e.g. cetane number, lubricity, volatility. Fuel structure modification will enable the combustion process to be altered to meet the limits on pollutants at lower cost. Economic cost of modifying FT fuel has to be weighed against economic benefits. Engine tests and aftertreatment catalyst evaluation will determine economic benefits.

FT Diesel Fuels Research Immediate Tasks Evaluate FT fuels and fuel blends of known properties Measure engine performance parameters, including emissions Create link between molecular species in fuel and engine performance to establish targets for fuel production Extend NO x after-treatment model to inlet compositions that are relevant for diesel engine running on FT fuels

Diesel Engine Test Facilities Ray W. Herrick Laboratories Maurice J. Zucrow Laboratories Mechanical Engineering Building

Diesel Engine Test Facility October 2002 Certified ISB 5.9 L Cummins Diesel EGR & VGT (with Cummins Calterm II 7.63) 800 hp Eddy Current Dynamometer w/ Dyn-Loc IV Controller

Diesel Engine Test Facility 1998 ISB 5.9 L Cummins Diesel 500 hp Go-Power DT-1000 Water Brake Dynamometer

Diesel Engine Test Facility Additional facilities include: Cummins B-series engine with in-cylinder pressure transducer, and optical shaft-encoder, on an eddy-current dynamometer/controller. Single-cylinder version of the Cummins N-series engine with in-cylinder pressure transducer, optical shaft-encoder, external regulation of oil and coolant temperatures, external regulation of intake air pressure and temperature, capability to measure fuel and air flow rates, on an electric dynamometer/controller. This engine has been used for evaluation of piston bowl shapes, swirl numbers, injectors, and alternative fuels. Computerized data-acquisition/analysis systems for measurements and analysis of in-cylinder pressure, heat release rates, and exhaust gases.

Single-Cylinder Engine

Spark-Ignition Engine Test Facility 4.6 L Ford Spark-Ignition V-8 175 hp Eddy-Current Dynamometer w/ Dyn-Loc IV Controller

Emissions Measurement Capabilities Cambustion Emissions Analyzer Heads HC Fast FID NO X Fast CLD CO-CO 2 Fast NDIR

Emissions Measurement Capabilities Cambustion Emissions Analyzers: HC: HFR 500 Fast FID (Flame Ionization Detector) (0.9 ms Response Time) NO & NO 2 : f NOx 400 Fast CLD (Chemiluminescent Detector) (<2 ms Response Time) PM: AVL Smokemeter CO & CO 2 : NDIR (Non-Dispersive Infra-Red Detector) 500 Fast CO & CO 2 (5 ms Response Time) Each Analyzer has Two Measurement Channels dspace Open-Architecture Control Platform with Data Acquisition and Anti-Aliasing Filter Banks

Reaction Unit for Kinetic Measurements of After- Treatment Systems Temperature Display MFC Controllers Data Collection Module Automatic Valves NOx Analyzer Mass Flow Meters Water Feeding Pump Reactor Oven Mass Spectrometer Turbo Pump Catalyst

Aftertreatment Model Development Important Assumptions Complex porous catalyst washcoat Flat support with deposited particles Concentration /ppm 400 350 300 250 200 150 100 50 NOx breakthrough curves Flat uniform surface Laminar Flow Plug Flow Boudary Layer Catalyst Observed Conversion % 0 20 15 10 5 0 0 100 200 300 400 500 600 700 800 900 1000 Time /s Oxidation predictions 0 5 10 15 20 Calculated Conversion %

Gas Turbine Usage Issues and F-T Commercialization Gas Turbine Research Steve Heister (AAE), Bill Anderson (AAE), Jay Gore (ME), Yuan Zheng (ME), Bob Lucht (ME) Presentation at the CCTR Advisory Panel Meeting Purdue Calumet, December 6, 2006

FT Fuels Utilization in Gas Turbines Focus of the proposed effort is on aircraft gas turbines Use of FT fuel as an endothermic coolant for aircraft systems endotherms and coking behavior must be investigated Particulate and pollutant generation investigation of sooting behavior of FT fuels and blends with JP8 low aromatic content may lead to lower soot emissions In general, atomization, mixing, ignition properties of FT fuels and fuel blends must be studied systematically Purdue s Zucrow Laboratory complex has unique facilities and expertise to address these issues

FT Fuels Utilization in Gas Turbines GT Combustor Facility in the High Pressure Laboratory Rolls Royce Combustor Can

FT Fuels Utilization in Gas Turbines Purdue-Rolls Royce team was recently notified that a proposal to modify the combustor for optical access and perform advanced laser diagnostics was selected for funding under the NASA Fundamental Aeronautics program. Proposed Window Assembly

Zucrow Lab Facilities for Gas Turbine Testing HP Air Tanks 2000 actual cubic feet of 2,000 psi air storage Recently modernized air compressor plant produces nearly 1 lbm/sec of dry air at 2,000 psi Large natural gas fired heat exchanger capable of 950 deg F air discharge temperature at 9 lbm/sec and 700 psi Precise flow rate and pressure control with large dome-loaded pressure regulator and sonic orifices, system blow-down performance well characterized Laser Imaging of Fuel Spray Recently upgraded emissions monitoring system, state-of-the-art FTIR and flame ionization detector installed Laser diagnostic capabilities for probing harsh GT environment are being developed

FT Fuels Coking Test Facility N 2 PT T Fuel Tank T Flow Meter Run Valve Filter Oil Bath Preheater T Preheater Valve N 2 Purge Valve T T T Rope Heaters T Cu PT Furnace Dump Valve PT T Waste Drum Sample Collection 3-Way Valve Control Valve T PT Filter Water Bath

Rolls-Royce High Mach UTC Advanced heat exchanger (HEX) configurations Coking studies and development of non-coking catalytic reactors for endothermic fuels

JP-8 Coking Deposition Mechanism is Dependent on Fuel Chemistry JP-10

Heatsink [btu / lbm] 1400 1200 1000 800 600 400 200 Measured Heatsink Theoretical Heatsink No catalyst 0 6 0 200 400 600 800 1000 1200 1400 Temperature [ºF] Increased heat sink due to thermal cracking (good) is accompanied by coking and subsequent HEX fouling (bad) Cp [btu / lb ºF] 7 5 4 3 2 1 Thermal Cp Theoretical Cp Catalytic Cp UTC endothermic fuels research is aimed at developing non-fouling catalyst combinations With zeolite catalyst Increase in apparent Cp at lower-than-coking T 0 0 200 400 600 800 1000 1200 1400 Temperature [ºF]

FT Fuels in Gas Turbine Engines: Proposed Work Initiate studies on specifications of fuel for aircraft gas turbine engine use. Identify desirable chemical structures for non-coking endothermic fuels. Test coking properties of FT fuels and fuel blends. Test ignition, performance, and emissions for FT fuels and fuel blends in Zucrow Laboratories gas turbine combustion facility.