The Energy Center

INVESTIGATING THE PRODUCTION AND USE OF TRANSPORTATION FUELS FROM INDIANA COALS

A presentation to the Advisory Panel ofThe 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, HammondDecember 6, 2006

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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

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Production Issues and Fischer-Tropsch

Rakesh Agrawal, Gary Blau, W. Nick Delgass, Fabio Ribeiro School of Chemical Engineering

College of Engineering

Hilkka KenttämaaDepartment of Chemistry

College of Science

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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

Coal To Liquids, CTL

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• No commercial methodology exists for detailedcharacterization 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

F-T Fuel Characterization

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• 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

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• 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

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Production of F-T Fuels:Four major focus areas identified

Optimizing SelectivityFischer-Tropsch MechanismIntegration of F-T Mechanism with reactant consumption and product distributionCO2 recycle

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Implications of CTL IntegrationOur 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

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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

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Performance of FT Fuels in Diesel Engines

John Abraham, MEJim Caruthers, CHE

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• 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 NOx 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

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• 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 NOx after-treatment model to inlet compositions that are relevant for diesel engine running on FT fuels

FT Diesel Fuels Research – Immediate Tasks

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• Ray W. Herrick Laboratories• Maurice J. Zucrow Laboratories• Mechanical Engineering Building

Diesel Engine Test Facilities

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• 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

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Diesel Engine Test Facility

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

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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, swirlnumbers, injectors, and alternative fuels.

• Computerized data-acquisition/analysis systems for measurements and analysis of in-cylinder pressure, heat release rates, and exhaust gases.

Diesel Engine Test Facility

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Single-Cylinder Engine

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Spark-Ignition Engine Test Facility

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

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• Cambustion Emissions Analyzer Heads

HC Fast FID

NOX Fast CLD

CO-CO2Fast NDIR

Emissions Measurement Capabilities

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Emissions Measurement Capabilities

• Cambustion Emissions Analyzers:

– HC: HFR 500 Fast FID (Flame Ionization Detector)(0.9 ms Response Time)

– NO & NO2: f NOx 400 Fast CLD (Chemiluminescent Detector)(<2 ms Response Time)

– PM: AVL Smokemeter

– CO & CO2: NDIR (Non-Dispersive Infra-Red Detector) 500 Fast CO & CO2(5 ms Response Time)

• Each Analyzer has Two Measurement Channels

• dSPACE Open-Architecture Control Platform with Data Acquisition and Anti-Aliasing Filter Banks

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Reaction Unit for Kinetic Measurements of After-Treatment Systems

MFC Controllers

NOx Analyzer

Mass Flow Meters

Reactor Oven

Mass Spectrometer

Turbo Pump

Temperature Display

Data Collection Module

Automatic Valves

Water Feeding Pump

Catalyst

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Aftertreatment Model DevelopmentImportant Assumptions

Laminar Flow Plug Flow

Complex porous catalyst washcoat

Flat support with deposited particles

Flat uniform surfaceBoudary Layer

Catalyst

NOx breakthrough curves

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Time /s

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n /p

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Calculated Conversion %

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Oxidation predictions

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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 MeetingPurdue Calumet, December 6, 2006

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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

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FT Fuels Utilization in Gas Turbines

Rolls Royce Combustor Can

GT Combustor Facility in the High Pressure Laboratory

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FT Fuels Utilization in Gas TurbinesPurdue-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

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Zucrow Lab Facilities for Gas Turbine Testing2000 actual cubic feet of 2,000 psi air storageRecently modernized air compressor plant

produces nearly 1 lbm/sec of dry air at 2,000 psiLarge 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

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

HP Air Tanks

Laser Imaging of Fuel Spray

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Fuel Tank

N2

Flow MeterOil Bath

Preheater

Rope HeatersN2

T T

PT

WaterBath

T

PurgeValve

Run Valve

Preheater Valve

T

T

T

Filter

Dump Valve

WasteDrum Filter

T

Sample Collection

3-Way Valve

ControlValve

PT

PT

PT

Furnace

Cu

TT

FT Fuels Coking Test Facility

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Rolls-Royce High Mach UTC

Advanced heat exchanger (HEX) configurations

Coking studies and development of non-coking catalytic reactors for endothermic fuels

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Coking Deposition Mechanism is Dependent on Fuel Chemistry

JP-10

JP-8

The Energy Center

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Temperature [ºF]

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Measured HeatsinkTheoretical Heatsink

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Temperature [ºF]

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Thermal CpTheoretical CpCatalytic Cp

Increased heat sink due to thermal cracking (good)is accompanied by coking and subsequent HEX fouling (bad)

No catalyst

With zeolite catalyst

Increase in apparent Cp at lower-than-coking T

UTC endothermic fuels research is aimed at developing non-fouling catalyst combinations

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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.