Developing a Benchmark for Natural Gas Combustion Models

RDTPA 96-31
K.C. Kaufman and W.A. Fiveland Babcock & Wilcox Alliance, Ohio, U.S.A. 44601 Neal Fornaciari and Philippe Goix Combustion Research Facility Sandia National Laboratories Livermore, California, U.S.A. 94551 Presented at the Fourth International Conference on Technologies and Combustion for a Clean Environment July 7-10, 1997 Lisbon, Portugal
SM

Peter M. Walsh Energy and Environmental Research Corp. c/o Sandia National Laboratories Livermore, California, U.S.A. 94551

Abstract
The natural gas industry is currently involved in the development of new burner technology to produce efficient, very low-emission burners for industrial and utility applications. Evaluation of new designs becomes increasingly cost intensive as new burner designs extend outside existing operating envelopes. Numerical combustion modeling is evolving as a standard tool to reduce design cycle time and focus test programs. Models currently in use are based largely on the fundamental description of the complex interacting processes that occur during fossil fuel combustion: turbulent flow, gas phase chemical reaction and heat transfer. However, representation of some of these phenomena still requires the use of empirical models to close physically-based equations or to permit predictions to be completed in practical time frames. Because of these limitations, these models must be thoroughly validated and their range of application understood before they can be routinely applied. The validation process requires access to high-quality experimental data in key areas of the flame, with complete information on geometry, operating conditions, and boundary conditions which play a strong role in modeling predictions. To construct a comprehensive validation document for use by the natural gas industry, Gas Research Institute has funded a joint effort between Babcock and Wilcox and the Burner Engineering Research Laboratory (BERL) at Sandia National Laboratories. Key project goals are the collection of a definitive set of measurements for an industrial natural gas flame, and the documentation of the test cases for model validation. To ensure the viability of this data for model validation, combustion models have been applied u

throughout the program. In particular, modeling was used to guide the test plan, focus measurement requirements, and evaluate the data for validation use. The tests and the use of models to drive the test campaign are discussed. Predictions are compared with the collected data. Modeling strengths and remaining challenges are discussed in terms of design application to industrial burners. The need for additional validation efforts is addressed.

Key Words: burner, natural gas, combustion, numerical models, validation, flame

Introduction
The use of natural gas continues to grow as a key fuel for utility, industrial, and residential services. This increased use is expected to continue in the United States because of availability and price. In addition, market demands and both federal and local regulations are placing more stringent requirements on efficiency and emissions. These motivations are driving the natural gas industry to design new burners which will operate beyond of existing design envelopes. Previous design strategies have relied heavily on empirical data, but this approach becomes risky for advanced design concepts. Methods are needed to scale burner designs and to effectively study a variety of parameters such as burner configuration, burner location and orientation, fuel composition and multiple fuel requirements, fuel and air staging, operational upsets, and specific applications such as flame shaping. While pilot-scale tests will continue to be used to design and test burner concepts, the u

cost of these tests is significant. Additional tools are needed to optimize and focus the test matrix, and to aid in scale-up of the pilot-scale designs, thus reducing developmental costs and risk of nonperformance. Numerical modeling is a relatively new engineering tool that is ideal for evaluating combustion systems. The evolution of these methods since the mid-1970s has produced computational tools that are now applicable to the prediction of the complex physical processes involved in fossil fuel combustion: turbulent fluid dynamics, gasphase species transport, chemistry, and heat transfer (Fiveland, et al., 1984; Fiveland and Wessel, 1991; Fiveland and Jessee, 1994). These models are now being used more frequently in both the utility and industrial burner markets to provide additional insight and guidance to the design and application of efficient, low emission natural gas burners (Peters and Weber, 1994). The use of these models introduces several new issues, since they are neither foolproof, nor simple to use. These issues include suitability of the modeled physics to the design, validation of the software, correct use, and interpretation of the results. Most issues rely on an experienced engineer to determine the suitability of the model, and to correctly apply it and interpret the predictions. The coupling of the complex, non-linear mechanisms simulated by these models, however, requires that the models must be thoroughly validated before they can be routinely applied to design problems. This validation process must also be repeated as the models are refined and extended. u

Validation of the software, however, requires a set of comparison data for a representative condition with characteristics similar to the case of interest. For satisfactory validation of the numerical model, this data must meet several criteria. The data must be of good quality: repeatable, measured with appropriate instrumentation to sufficient resolution, and with error bounds that are understood. Just as important as the quality of the measurements is the need to provide information on all aspects of the physics concerned, and the need to characterize critical spatial areas where the physical processes are active. For an industrial natural gas flame, measurements are needed for velocities, temperature, and species both within the flame and external to the flame, as well as characterization of the heat transfer around the flame. In addition to the measurement data themselves, sufficient information must also be provided on the geometry, operating conditions, and surrounding environment to make the validation meaningful. The application of reasonable boundary conditions is essential to the validation process, since unrealistic or uncharacteristic boundary information can result in misleading predictions. For a natural gas burner, information must be obtained on the burner and furnace geometry, oxidant and natural gas flow rates, velocities and turbulence levels, and heat transfer and material information on the boundary. For a validation benchmark that is to be used consistently at different times and for different analysis software, this information must be documented clearly so that compatible predictions can be obtained and compared. Although a significant amount of experimental data is available for natural gas fired burners, the data is typically collected as part of specific burner test programs, and does not provide the detailed in-flame data and boundary condition information re- u

quired to verify combustion models. As a result, no comprehensive data sets are available to validate combustion models. To create a validation document for industrial natural gas burners, Gas Research Institute (GRI) has funded a joint effort between Babcock and Wilcox and the Burner Engineering Research Laboratory (BERL) at Sandia National Laboratories in Livermore, California. The goal of the program is to provide the measurements and documentation required to produce a complete validation document for use in the natural gas industry. The document will be constructed to provide a consistent set of operational and boundary condition information. This will allow predictions to be compared from various sources without contradictions or confusion resulting from incompatible assumptions for boundary or initial conditions. This paper describes the background for the selected test case, the measurements collected at the BERL facility, and the use of numerical modeling to guide and evaluate the validation data.

The BERL Measurements

Background and Test Facility
At the start of the program, a review of measurements for industrial natural gas burner flames was conducted to identify existing data that could be used. Little data was found in the available literature that included flow and combustion measurements, although the work completed under the GRI funded SCALING 400 program (Weber, et al, 1993) provided the best set of measurements for industrial scale gas burners u

under controlled conditions. In particular, the 300kW measurements completed in the Burner Engineering Research Laboratory (BERL) at Sandia National Laboratories (Sayre, et al, 1994), provided in-flame data in a well-instrumented experimental furnace. This set of measurements were selected as the baseline set. The initial burner tests, completed by the IFRF/Sandia/EER team, collected in-flame data for both a hot-wall and cold-wall furnace configuration. Measurements were collected at six radial traverses - 27, 109, 177, 191, 343, and 432mm downstream of the burner quarl exit. Axial and tangential velocity components, gas temperature and major species were measured at five traverses each. The data collected by Sayre et al (1994) were of excellent quality and included very good radial resolution across the flame sheet at each traverse. However, since only five traverses were completed for all of the variables, additional measurements were planned to expand the data set, resolving the flame internal and external recirculation zones and the post-flame region. Based on the existing data, the cold-wall furnace case was selected for further measurements, since this configuration offered some advantages for flame visualization, and also provided a well-defined furnace wall condition. Data from both sets of measurements will be included in the final validation document. As with the original measurements, the follow-on measurements were collected in the BERL facility. The Sandia/BERL furnace (Forniciari et al, 1994) and associated equipment were designed by the Energy and Environmental Research Corp. and the University of California at Irvine Combustion Laboratory for the Gas Research Institute and the U.S. u

Department of Energy. The furnace is vertical, with an octagonal cross section, 1.08 m across and 2.00 m tall and is assembled from five or six identical 333 mm high spool segments. A cross-sectional schematic of the furnace is shown in Figure 1. The burner is mounted in the floor and the area surrounding it is insulated with refractory board. The furnace is topped by a 390 mm tall, refractory-lined 45o cone connecting the octagonal furnace to a 305 mm I.D. exhaust duct. The first 690 mm of the exhaust duct are refractory lined. A water-cooled sampling probe used to monitor the composition of furnace exit gas is located 340 mm from the exit of the cone. The pressure in the furnace was adjusted to 12.5 Pa above ambient using a damper in the exhaust, upstream from the induced draft fan. The 300 kW swirl-stabilized natural gas burner, shown schematically in Figure 2, was built by the International Flame Research Foundation (IFRF) for the Gas Research Institutes SCALING 400 research program. The burner is circumferentially symmetric with a bluff center body containing 24 radial natural gas injection holes. Combustion air is supplied by a blower and introduced through the annular air zone and swirled using IFRF swirl blocks. The burner has the capability for flue gas recirculation (FGR) and fuel staging, but was operated only in the single-stage mode without FGR while making the measurements presented here. The fuel and air flows were measured using laminar flow elements. Each of the eight sides of each furnace spool has an opening (406 mm wide x 267 mm high) for a refractory-lined or bare stainless steel panel or a frame holding a fused silica window. For the cold-wall measurements, all of these openings contained u

water-cooled bare metal panels, as shown in Figure 1, except when optical access was required for laser Doppler velocimetry (LDV). For the original hot-wall measurements, the panels were refractory lined. Where probes are inserted, special panels are installed that have 51 or 127 mm wide vertical slots fitted with covers having 32 mm wide openings for the probes. These openings are filled with refractory blanket to minimize leakage of gas into or out from the furnace. The heat extracted through the furnace wall is determined from cooling water flowrates and temperature changes.

In-flame Measurements
The follow-on measurements duplicated the 15% excess air (3.0% exit O2, dry) coldwall baseline flame as measured by Sayre et al (1994). A summary of typical operating conditions is given in Table I. Table II contains a typical fuel analysis obtained during the tests. The data was collected using the six-spool BERL configuration instead of the five-spool configuration to limit facility modifications. The change in BERL configuration and the location of the original and follow-on measurement traverses are shown in Figure 3. Combustion modeling cases completed prior to the start of the tests indicated that this change had a negligible effect on the data. The measurements reported here were made using a suction pyrometer with type S thermocouple, an extractive gas sampling probe, and an ellipsoidal radiometer, all from the International Flame Research Foundation. Gas velocities, both mean and RMS fluctuating components, were measured by LDV using an argon ion laser and Aerometrics Doppler Signal Analyzer, with the combustion air seeded using 0.05 u

micrometer alumina particles. The probes and LDV system were mounted on a motor-driven optical table to traverse the flow. The entire furnace is moved up and down in relation to the table in order to probe the flame gases at different heights. Gas composition was determined using nondispersive infrared (CO and CO2), flame ionization (total hydrocarbons), paramagnetic (O2), and chemiluminescence (NO and NOX) detectors and a micro-gas chromatograph (H2, O2, CO, CO2, CH4, and N2). When making the temperature and gas composition measurements using the continuous monitors, the output from each instrument was observed for approximately one minute and the highest, lowest, and typical readings were all recorded. Table III provides a summary of all measured data for the three test conditions discussed below. The tests began with a repeat of two of the original traverses at 27mm and 343mm to ensure replication of the baseline flame characteristics. These two traverses displayed excellent repeatability with the original data set for all measured quantities. A comparison of several main variables from both the original and follow-on measurements is shown in Figure 4. This figure shows that only quantities such as carbon monoxide and NOx, which are sensitive to small changes in fuel, show any significant variations. With successful repetition of the original baseline flame, data was then taken at eleven new traverse locations as shown in Figure 3: 0+, 16, 65, 131, 150, 208, 390, 510, 695, 815, and 1156mm downstream of the quarl exit. Data collected at these traverses included axial and tangential velocity components, gas temperature, and u

major species as described above. The exceptions are the quarl exit traverse (x=0+), where axial, tangential, and radial velocity components were measured, the 16mm traverse, where only gas temperature and species measurements were made, and the 815mm and 1156mm traverse, where only velocity and gas temperature were measured. For a majority of the intrusive measurements, both minimum and maximum values were recorded once the probe reached steady conditions. An example of this is shown in Figure 5 for gas temperature. This min-max range for key variables provides a valuable piece of information for model evaluation, since it provides an envelope of possible values. As can be seen from Figure 5, this envelope can be significant in some areas were turbulent fluctuations are large. Limited data were also taken at seven traverses for a low excess air condition (2.5% excess air, 0.6% exit O2, dry). This case was selected to assess its usefulness to evaluate model sensitivity. The conditions reduce combustion air flow by ten percent, and result in a roughly 22% increase in exit NOx. However, although this condition does show sensitivity in NOx levels, most other combustion quantities are largely unaffected, making the case useful primarily for evaluation of detailed nitrogen kinetics mechanisms. Traverses at this condition were made at the 0+, 27, 65, 131, 150, 343, and 510mm locations. Similar data as collected for the baseline case - velocity components, gas temperature, and major species - were collected for this condition.

Cold Flow Measurements

In addition to the baseline flame measurements, data was also collected for nonreacting flow conditions. Seven traverses were completed for the non-reacting case (0+, 27, 65, 131, 208, 343, and 510mm) to provide turbulent flow validation data for a representative swirl number. This data was of considerable interest, since turbulence plays a critical role in diffusion flame combustion, and these measurements provided detailed flow validation data for the same burner configuration without the added difficulty of combustion chemistry and heat transfer. Burner air flows identical to those used for the baseline combustion case were used, here, with no change to the burner swirl setting. For these conditions, the internal recirculation zone (IRZ) observed for the baseline flame does not close, producing a large secondary recirculation zone downstream along the burner centerline. Although these conditions produce a somewhat different flow pattern than that observed with combustion, the result is a conservative test case for evaluation of turbulence models and numerically predicted swirling flow.

Auxiliary Measurements
In addition to the described in-flame measurements for the three cases, a significant amount of auxiliary data was also collected to provide a thorough set of boundary condition information and to provide qualitative visualization of the flame character. Burner operating conditions such as air and fuel flow and temperatures, as well as fuel composition, were monitored and documented throughout the campaign, as shown in Tables I and II. Furnace exit conditions were recorded and furnace u

massflow balance was monitored with pressure drop measured across an orifice installed in the exit duct. This orifice was duplicated in some modeling to successfully confirm minimal furnace leakage through pressure drop comparisons. A summary of furnace exit conditions over several test days is provided in Table IV. Temperatures in the furnace refractory floor and on the outside of the furnace hood were recorded using thermocouples. Radiative heat flux at the furnace wall was measured with an ellipsoidal radiometer at 12 elevations. Images of burner flow were obtained using Mie scattering from fine particles of titanium dioxide formed by reaction of water vapor with titanium tetrachloride vapor added to the combustion air. The 532 nm beam from a frequency-doubled Nd:YAG laser was formed into a sheet approximately 1mm thick using cylindrical lenses to expand the beam in one dimension. Introduction of titanium tetrachloride was started impulsively to seed the combustion air. An image was then obtained of the seeded flow entering and mixing with the unseeded furnace flue gas by proper timing of the camera shutter with respect to the impulse. A pulse of 6ns duration from the laser effectively freezes the flow. A narrow bandpass filter centered at 532nm was used to minimize flame and background radiation. The illuminated sheet of particles was focused using a 105mm, f/4.5 UV lens. An electronic shutter with a 1 microsecond gate time was used with a high resolution Photometrics 14-bit AT200, 1024x1024 pixel CCD detector coupled with an electronically gated image intensifier. The digitized signal was process using PMIS software for Microsoft Windows. u

Mie scattering images were collected for the non-reacting measurements as well as both the baseline and low excess air flames. The relative time lapse between introduction of the titanium tetrachloride and the camera shutter allows the mixing to be visualized at several stages. Although these images represent nearly instantaneous snapshots of the flame structure, they are very useful in defining overall flame character and shape; for example the closed internal recirculation zone of the baseline flame is readily visible in Figure 6, compared with the open central recirculation zones formed by the non-reacting flow. The images are also useful in defining key mixing layers and characterizing larger-scale turbulent structures. The blue chemiluminescence from excited CH radicals in the flame zone provides a method for obtaining images of flames in furnaces where background radiation renders the flame practically invisible to the naked eye. In this technique, the intensified CCD camera was used with a filter centered at 431nm and having a bandwidth of 10nm (full width at half maximum). The resulting image provided a time-averaged flame envelope that may be used to qualitatively define flame length and regions of high reaction rate, e.g. the flame front.

Design of the Validation Tests

Prior to proceeding with the follow-on measurements, a number academic and commercial modeling groups were surveyed to provide feedback on the kind of measurements and information needed to aid in validation of multi-dimensional combustion models. Information obtained in this survey was then incorporated into the construction of the second set of measurements and the planned validation document. In u

addition, feedback was solicited from the same groups on an initial release of the validation document based on the original measurements. This feedback resulted in additional improvements in the overall document and test plan. Predictions were completed with Babcock & Wilcoxs combustion model, COMO (Fiveland and Jessee, 1994, and Jessee and Fiveland, 1995a) prior to testing and during the follow-on measurements to provide input to the test plan (Kaufman and Fiveland, 1995). Two-dimensional (2-D) axisymmetric and three-dimensional (3-D) predictions were compared with the original data of Sayre et al (1994) to assess the use of the hot- and cold-wall cases for validation before beginning the additional measurements. A burner and furnace geometry that could be used to evaluate both axisymmetric and full 3-D predictions was desired, and the initial modeling indicated that the IFRF burner and BERL geometry worked well for both types of applications. Discrepancies between the 2-D predictions, 3-D predictions, and the data were then used to determine where additional measurements were required. These assessments lead to the additional traverses near the quarl and through the internal recirculation zone. Based on observed differences in predicted downstream mixing between the 2-D and 3-D models, as shown by the predicted oxygen contours in Figure 7, several profiles were also added just past the main combustion zone, with additional profiles in the post-flame region to evaluate downstream mixing and further establish the external recirculation zones. The LDV traverses at the quarl exit were added to provide additional definition of the velocity field as it left the burner. The modeling u

results, together with the existing data, were used to define the desired level of measurement resolution across the flame at each traverse. A preliminary assessment of the low excess air condition was also completed using axisymmetric models prior to testing. The models were also used to evaluate the change from a 5-spool BERL configuration to a 6-spool configuration. The 5-spool furnace configuration had been used for the original measurements. However, the use of the existing 6-spool BERL configuration at the time of the additional measurements would save considerable effort and expense, while providing more time for collecting data. Comparisons between 5spool and 6-spool cold-wall predictions showed only minor changes in the downstream flow patterns, with no significant effects on the near-flame region. This evaluation was borne out by the subsequent measurements.

Application to Model Validation

Model Description
The COMO model was used throughout this effort to predict the natural gas flames. COMO is a modular, fundamentally based multi-dimensional flow and combustion model. Both structured, orthogonal and unstructured body-fitted versions are currently available. Gas-phase equations are solved using a collocated, finite volume formulation for the Eulerian equations. The flow algorithm is built around a cell-vertex finite volume formulation of the steady, incompressible Navier-Stokes equations (Jessee and Fiveland, 1996). Turbulent flow is predicted using a standard two-equation k- u

turbulence model (Launder and Spalding, 1974). A solution the radiation heat transfer in the system is found using the discrete ordinates method of Fiveland and Jessee, 1995, while the combustion model is similar to that described in Fiveland and Jessee (1994). Solutions are obtained using algebraic multigrid techniques to enhance convergence. The model has been validated in a step-wise manner as described in Fiveland, et al, 1996. For the results reported here, flow and combustion models were completed using both 2-D axisymmetric and 3-D cylindrical structured orthogonal models and 2-D axisymmetric and 3-D unstructured models. Grid sensitivity studies were completed over a range of grid sizes from 7130 nodes to 47,600 nodes for 2-D models and 65,500 nodes to 153,500 nodes for 3-D models. Further discussion of grid sensitivity is reported in Kaufman and Fiveland (1995).

Non-reacting Flow
Predictions for the non-reacting flow case were completed using 27,000 nodes on both structured and unstructured 2-D axisymmetric meshes. As noted before, this non-reacting flow produces the primary central recirculation zone immediately behind the burner center body, but also creates a large secondary recirculation zone along the burner centerline. Figure 8 shows the comparison between measurements and predictions of axial and tangential velocity at five traverse locations. Both predictions show very good agreement with the data with several exceptions. At the 27mm location, all features of the flow are captured by the model except for the magnitude of the u

recirculation zone, which is under predicted, and the pronounced double peak on the tangential velocity component. These are both known artifacts of the k- turbulence model, which under predicts the strength of the recirculation zone. In Figure 9, predicted axial, radial, and tangential velocity components are plotted at the quarl exit and compared with measured LDV profiles for the mean velocity components. In these figures, the profiles are bounded by the envelope of measured RMS fluctuations. The predictions show good agreement with the measurements, and fall well within the RMS envelope, again with the exception of the IRZ strength.

Simple Chemistry Models

For the bulk of industrial and utility combustion applications, gas phase chemistry is modeled in two steps: (1) oxidation of fuel producing a pool of carbon monoxide and other products; and (2) oxidation of carbon monoxide to carbon dioxide. In COMO, this step is accomplished using a rate limiting step between the turbulent mixing (Magnussen and Hjertager, 1976) and the kinetics. This eddy dissipation model (EDM) provides reasonable results for many large applications and is time efficient when large models are required to resolve the geometry and flow, temperature, and species gradients. Results from combustion predictions of the cold-wall case with the 2-step mechanism are shown in Figures 10-12. Figures 10 and 11 show 2-D predictions of axial and tangential velocity, temperature, O2 and CO at the 27mm and 208mm traverses comu

pared with the measurements. These profiles are 0.3 and 2.4 burner diameters (Do) downstream of the quarl exit. These figures indicate that the 2-D model does well in capturing the trends near the burner. Downstream, however, the 2-D model does not compare as well, indicating a longer flame, with slower mixing near the burner centerline. This is the result of the axisymmetric assumption requiring the use an annular natural gas inlet stream, as opposed to discrete gas jets that can be correctly modeled in 3-D. This idealization for 2-D models has a significant impact on mixing patterns near the burner, which in turn affect downstream predictions. Understanding these impacts is important, since simplified 2-D models are often used since they provide faster turn-around time for parametric studies. Even with the noted limitation, however, the 2-D model still provides a reasonable representation of the overall flame features and trends. In Figure 12, a Mie scattering image obtained for the baseline flame is compared with the velocity field, gas temperature, and local stoichiometric ratio contours from an axisymmetric prediction. Although the Mie scattering image portrays an instantaneous image of the flame, while the predictions are steady, time-averaged representations of the flame, obvious similarities in shape and structure are apparent. This comparison, though not quantitative, does provide additional verification of the models ability to correctly simulate the characteristics of the flame.

Advanced Models
Although two-step chemistry mechanisms have been a standard approach for many combustion modeling applications, this approach ignores the minor and radical species which are strongly linked to the generation of pollutants such as NOx. NOx predictions for these types of solutions require global pollutant models that rely on empirical rates and constants that must be tuned from case to case. These global models have been used successfully for predicting overall furnace emissions (Fiveland and Wessel, 1991), but are much less reliable for burner or local variations. To correctly predict in-flame NOx, a kinetics mechanism with sufficient detail to capture the key NOx reactions must be used. This approach, which replaces the two-step chemistry with an increased number of detailed, elementary kinetics mechanisms, can provide information on minor and radical species included in the mechanism. However, to model hydrocarbon chemistry and nitrogen chemistry to correctly predict nitrogen oxides, a large number of reactions (over 200) must be included. The addition of this large number of stiff equations to the solution significantly increases the computational time required for even a modest two-dimensional prediction. To use these models effectively, a reduced mechanism set must be sought that provides sufficient detail for combustion and pollutant formation, while minimizing computer time. This is best accomplished by comparison of reduced mechanisms with complete mechanisms such as GRI-Mech (Frenklach, et al, 1995). Practical mechanisms may be derived that will consist of between twenty and seventy reactions. u

As part of an on-going internal program at Babcock & Wilcox, several reduced kinetics mechanisms are being evaluated against combustion solutions completed with the full 279 reactions of GRI-Mech 2.11. Predictions with these mechanisms have been compared with the 2-step EDM predictions and the BERL data. An example of such a comparison is shown in Figure 13, which shows the standard 2-step mechanism (EDM), as well as a revised 2 reaction mechanism (EDC 2-Rx) and a 20 reaction combustion mechanism (EDC 20-Rx) compared with the full 279 reaction mechanism of GRI-Mech (EDC 279-Rx) and the measured data at two traverse locations. This comparison demonstrates significant improvement in the combustion prediction using the 20 reaction mechanism; however, this mechanism is not sufficiently detailed to permit prediction of in-flame NOx as shown for the full GRI-Mech prediction. The use of the BERL data set in this way provides a strong argument for the need for such data when evaluating advanced combustion chemistry models.

Conclusions
A set of in-flame and supporting data for an industrial natural gas flame has been successfully collected at the Sandia BERL test facility. The test was designed to provide a complete, well documented data set for validation of numerical combustion models of natural gas burners. The validation document builds on measurements from the GRI sponsored SCALING 400 program, and successfully used combustion modeling as an integral part of the program to guide and focus experimental testing. The collected data provides a baseline for evaluation of differences between idealized u

2-D axisymmetric models, typically used for parametric studies, and more detailed 3-D models. The data also provides a vehicle for evaluation of advanced methods such as the implementation of detailed kinetics mechanisms. However, to provide a comprehensive validation data set, additional testing is still required. These measurements must provide quantitative information and visualization of in-flame radicals and further insight into importance of turbulence and improved turbulence models for combustion. In addition, a strong sensitivity case is required to quantify the models ability to predict changes in performance with changes in operating conditions. Comparisons to date between predictions and data indicate that existing combustion models are capable of replicating many of the experimental trends and predicting main features of the natural gas flames, but that additional work must still be done to improve model performance. Physical models of chemistry and turbulence must be improved. This improvement remains a significant challenge. The implementation of detailed kinetics mechanisms has already shown great promise using the described data set; however, significant work remains to reduce the increased computational times required by these models. This effort must combine identification of reduced reaction chemistry that will provide pollutant predictions, and implementation of the algorithms on parallel or distributed computing systems.

Acknowledgments
The authors would like to thank Gas Research Institute and Dr. R.V. Serauskas for support of this work through GRI contract 5093-260-2729. The experiments were performed at the Burner Engineering Research Laboratory (BERL) located in the u

Combustion Research Facility at Sandia National Laboratories in Livermore, CA. The BERL is funded by the Gas Research Institute (GRI) and the U.S. Department of Energy, Office of Industrial Technologies, and the Office of Basic Energy Sciences, Division of Chemical Sciences. The BERL is operated by Sandia, The Energy and Environmental Research Corporation, and the University of California, Irvine, Combustion Laboratory under contract to GRI. The authors would also like to thank Dr. Roman Weber and his colleagues at the IFRF for their work on the SCALING 400 program which led to the original data set, and Mr. Robert Gansman, Babcock and Wilcox ARC for his work on the detailed kinetics predictions for the BERL flames.

References
Fiveland, W.A., et al., 1984, COMO: A Numerical Model for Predicting Furnace Performance in Axisymmetric Geometries, ASME Paper No. 84-HT-103. Fiveland, W.A., and Jessee, J.P., 1994, Mathematical Modeling of Pulverized Coal Combustion in Axisymmetric Geometries, Proceedings of the ASME/EPRI Joint Power Generation Conference, Phoenix, Arizona. Fiveland, W.A., and Jessee, J.P., 1995, A Comparison of Discrete Ordinates Formulations for Radiative Heat Transfer in Multidimensional Geometries, Journal of Thermophysics and Heat Transfer, Vol 9, No. 1, pp. 47-54. Fiveland, W.A., Kaufman, K.C., and Jessee, J.P., 1996, Validation of an Industrial Flow and Combustion Model, Proceedings of the 1996 National Heat Transfer Conference, Houston, TX, Aug. 3-6. u

Fiveland, W.A., and Wessel, R.A., 1991, Model for Predicting Formation and Reduction of Nitric Oxide Pollutants in Three-Dimensional Furnaces Burning Pulverized Fuel, Journal of the Institute of Energy, Vol. 64, pp. 41-54. Fornaciari, N., Schefer, R., Paul, P., Sanford, R., Claytor, L., and Lubeck, C., 1994, Users Guide to the Burner Engineering Research laboratory, Presented to the American Flame Research Committee/Japanese Research Committee at the Pacific Rim International Conference on Environmental control of Combustion Processes, October 16-20, Maui, Hawaii. Frenklach, M., et al, 1995, Optimized Chemical Kinetics for Modeling Natural Gas Combustion, AFRC 1995 Fall International Symposium, Oct. 15-18. Jessee, J.P. and Fiveland, W.A., 1995a, A Non-orthogonal Combustion Model for Natural Gas Flames, Proceedings of the Third International Conference on Combustion Technologies for a Clean Environment, Lisbon, Portugal, July 3-6. Jessee, J.P. and Fiveland, W.A., 1996, A Cell-Vertex Algorithm for the Incompressible Navier-Stokes Equations on Non-Orthogonal Grids, Intl J Numerical Methods in Fluids, Vol 23, pp 271-293. Kaufman, K.C. and Fiveland, W.A., 1995, Validation of Industrial Gas Burner Models using In-furnace Laboratory Measurements, Proceedings of the 1995 AFRC Fall International Symposium, Monterey, California, Oct. 15-18. Launder, B.E., and Spalding, D.B., 1974, The Numerical Computation of Turbulent Flows, Computer Methods in Applied Mechanics and Engineering, Vol. 3. Magnussen, B.F., and Hjertager, B.H., 1976, On Mathematical Modeling of Turbulent Combustion with Emphasis on Soot Formation and Combustion, 16th Symposium (International) on Combustion, The Combustion Institute, 719-729. u

Peters, A.A.F., and Weber, R., 1994, Mathematical Modeling and Scaling of Fluid Dynamics and NOx Characteristics of Natural Gas Burners, Proceedings of the ASME/EPRI Joint Power Generation Conference, Phoenix, Arizona. Sayre, A., Lallemant, N., Dugue, J., and Weber, R., 1994, Scaling Characteristics of Aerodynamics and Low-NOx Properties of Industrial Natural Gas Burners: The SCALING 400 Study. Part IV: The 300 kW BERL Test Results, The Gas Research Institute, GRI Contract No. 5090-298-1977. Weber, R., Driscoll, J.F., Dahm, W.J.A., and Waibel, R.T., Scaling Characteristics of Aerodynamics and Low-NOx Properties of Industrial Gas Burners. The SCALING 400 Study. Part I: Test Plan, IFRF Doc No. F 40/y/, September, 1993.

F urna ce Exit Pr obe Loca tion

7 62.0 mm Exhau st Duct

Figu re No t To Scale

Wat er- cooled Pa nel Co nical F ur nace Ho od 30 0.0 mm ID 3 81.0 mm Wate r Colu mns

45
Octago nal Spo ol Segme nt 1of5

45
5 33.4 mm 16 51.0 mm

Wind ow Pa nel

2 19.0 mm Burne r

Spool Cross-section A-A

Side View

Figure 1 Schematic of BERL 5-spool configuration u

Burner Ra dius Ro = 43.5 mm St agin g Gas Burner Qua rl

20
o 2.00 R
o

Flue Gas
Swirlin g Combustio n Air Natural Gas Duct Insert
20
o

1.66 R 1.33 R 1.21 R

o

24 Gas I njection Holes Each @ 1.8 mm Di a. A xial Locat ion of Swirl block Calibrat ion Port
0.66 R o

1.15 R o R
o

R X

6 .0 mm Bu rner Axi s 195 mm

M easurement Trav erse Stat ions Locat ed f rom the Quarl E xit

Figure 2 IFRF 300 kw swirl-stabilized natural gas burner u

1993 BERL Configuration

Spool Segments

6
New Traverse Locations (mm) Original Traverse Locations (mm)

Furnace Spool

1156

815 695

510 390 432 343 191 150 131 16 0+ 65 177 27 109

208

IFRF Burner

Figure 3 BERL traverse locations for the 300 kW flame measurements

12 30 10 20 10 0

Original New

8 6 4

Axial (m/s)
15 10

2 4.00E4

CO2 (%, dry)

3.00E4 5 0 -5 1.00E4 -10 2000 2.00E4

Tangential (m/s)
Original New - Minimum New - Maximum

CO (ppm, dry)
8.00E4 6.00E4

1500

Original New - Minimum New - Maximum

1000

4.00E4

500

2.00E4

T (K)
20 15

UHC (ppm, wet)

80 60

10

40

O2 (%, dry)
-0.1 0.0 0.1 0.2 0.3 0.4 0.5

20

NOx (ppm, dry)

0 0 -0.1 0.0 0.1 0.2 0.3 0.4 0.5

Radial Distance (m)

Radial Distance (m)

Figure 4

Comparison of original and follow-on measurement profiles at the 27mm traverse

2000

Traverse Location
T-min T-max Tavg T-min T-max Tavg

208mm (2.4D o)

510mm (5.9D o)

Gas Temperature (K)

1500

1000

500 -0.2 -0.1 0.0 0.1 0.2 0.3 0.4 0.5

Radius (m)

Figure 5 Temperature variations at two traverses from the baseline flame u

Non-reacting flow

Baseline flame

Figure 6 Mie scattering images for non-reacting and baseline reacting conditions u

3-D Cylindrical Model

3 4 5 1 2

1 2 3 6 5 4

2-D Axisymmetric Model

O 2 Contours (%vol)

Figure 7 Comparison of 2-D and 3-D predictions for oxygen concentration u

20

10

x=510mm (5.9D o)
5 10 0 0 -5 -10 20 -10

x=510mm (5.9D o)

x=343mm (3.9D o)

10 5

x=343mm (3.9D o)

10 0 0 -5 -10 20

Tangential Velocity (m/s)

Axial Velocity (m/s)

-10 10 5 0 -5 -10 10 5

x=208mm (2.4D o)

x=208mm (2.4D o)

10

-10 20

x=131mm (1.5D o)

x=131mm (1.5D o)

10 0 0 -5 -10 20 -10

10

Measured Structured Unstructured

x=27mm (0.3D o)

10 5 0

x=27mm (0.3D o)

0 -5 -10 -0.5 -0.4 -0.3 -0.2 -0.1 0.0 0.1 0.2 0.3 0.4 0.5 -10 -0.5 -0.4

Measured Structured Unstructured

-0.3 -0.2 -0.1 0.0 0.1 0.2 0.3 0.4 0.5

radius (m)

radius (m)

Figure 8 Predicted and measured velocity profiles for non-reacting flow u

30

Measured RMS Envelope Prediction

Axial (m/s) Radial (m/s) Tangential (m/s)

20

10

-10

10

-10

20

10

-10

-20 -0.05 0.00 0.05

radius (m)

Figure 9 Predicted and measured profiles at the quarl exit u

40 30 20 10 0 -10

Axial (m/s)

10

Tangential (m/s)
0

-10 2000

T (K)
1500 1000 500

15 10 5 0 6.00E4

O2 (%dry)

CO (ppm dry)
Min-Measured Max Measured Predicted
-0.5 -0.4 -0.3 -0.2 -0.1 0.0 0.1 0.2 0.3 0.4 0.5

4.00E4

2.00E4

0.00E0

Radius (m)

Figure 10 Measured and predicted baseline profiles at the 27mm traverse

40 30 20 10 0 -10 20 10 0 -10 -20 2000 1500 1000 500 15

Axial (m/s)

Tangential (m/s)

T (K)

10

O2 (%dry)

0 4.00E4

CO (ppm dry)
Min-Measured

2.00E4

Max Measured Predicted

0.00E0

-0.5

-0.4

-0.3

-0.2

-0.1

0.0

0.1

0.2

0.3

0.4

0.5

Radius (m)

Figure 11 Measured and predicted baseline profiles at the 208mm traverse

Instantaneous Mie Scattering Image

Predicted Time-averaged Velocity Field

Predicted Time-averaged Gas Temperatures

Predicted Time-averaged Stoichiometric Ratio

Figure 12 Predicted baseline velocity, temperature, and stoichiometric contours compared with mie scattering visualization

40 20 0 -20 40 20 0

x = 432 mm (5.0Do)

2000 1500 1000 500

x = 432 mm (5.0Do)

x = 343 mm (3.9Do)

2000 1500 1000 500 2000 1500 1000 500 2000 1500 1000 500

x = 343 mm (3.9Do)

Axial Velocity (m/s)

40 20 0 -20 40 20 0 -20 40 20 0 -20 0.00

Data EDM

x = 177 mm (2.1Do)

Temperature (K)

-20

x = 191 mm (2.2Do)

x = 109 mm (1.3Do)

x = 109 mm (1.3Do)

x = 27 mm (0.3Do)

2000 1500 1000

Data EDM

x = 27 mm (0.3Do)

EDC 2-Rx EDC 20-Rx EDC 279-Rx

EDC 2-Rx EDC 20-Rx EDC 279-Rx

300 kW Flame 0.10 0.20 0.30 0.40 0.50

500 0.00 0.10 0.20 0.30 0.40

300 kW Flame 0.50

Radial Position (m)

Radial Position (m)

20 15 10

x = 432 mm (5.0Do)

125 100 75 50

x = 432 mm (5.0Do)

5 0 20 15

25

x = 343 mm (3.9Do)

0 125 100 75

x = 343 mm (3.9Do)

NOX Mole Fraction (% dry)

10

O2 Mole Fraction (% dry)

50 25 0 125 100 75 50 25 0 125 100 75

5 0 20 15 10 5 0 20 15 10

x = 191 mm (2.2Do)

x = 191 mm (2.2Do)

x = 109 mm (1.3Do)

x = 109 mm (1.3Do)

50 5 0 20 15 10 5 0 0.00 0.10 0.20 0.30 0.40 25

Data EDM EDC 2-Rx EDC 20-Rx EDC 279-Rx

x = 27 mm (0.3Do)

0 125 100 75 50
Data

x = 27 mm (0.3Do)

EDC 279-Rx

300 kW Flame 25 0.50 0 0.00 0.10 0.20 0.30 0.40 300 kW Flame 0.50

Radial Position (m)

Radial Position (m)

Figure 13 Predictions for hot-wall flame with several chemistry mechanisms

Table I

Summary of Typical Burner Operating Conditions for 300 kW Flame

Baseline Flame Fuel Low Excess Air Flame 46.97 MJ/kg 16.27 310.8 K 11.70 kPa 0.006420 kg/s

Condition

LHV Stoichiometric Air/Fuel Ratio Fuel Temperature Gauge Pressure Fuel Flow Ambient Pressure Mole Fraction H 2 O Gauge Pressure Air Temperature Air Flow Swirl Number Stoichiometric Ratio

48.20 MJ/kg 16.75 312.0 K 11.85 kPA 0.006229 kg/s

Combustion Air 99.01 kPa 99.63 kPa 0.0166 0.0125 2.60 kPa 2.20 kPa 311.4 K 306.4 K 0.1200 kg/s 0.1075 kg/s 0.56 0.56 1.15 1.029

Table II Typical Natural Gas Normalized Fuel Analysis

y S pecies Methane Ethane Propane i-Butane n-Butane i-Pentane n-Pentane >C6 Nitrogen Carbon Dioxide Mole Fr (%) 93.448 4.603 0.263 0.038 0.042 0.013 0.008 0.026 0.859 0.700

Table III Summary of Measured Data for BERL Test Conditions

Traverse Stations Traverse Location s (mm) 0 16 27 65 109 131 150 177 191 208 343 390 432 510 695 815 1156 Original SCALING 400 Measurement s V,T,SP V,T,SP V T,SP V,T,SP V,T,SP Baseline Measurement s Low Excess Air Measurement s V V,T,SP V,T V,T,SP V,T V,SP V Non-reacting Measurement s

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17

V T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T,SP V,T V,T

V V V V V V V -

V=LDV velocities, T=gas temperature, SP=species

Table IV Summary of Baseline Furnace Exit Conditions

Date O2 (%, dry) CO2 (%, dry) CO (ppm , dry) NO ( ppm, wet) NOx (ppm, wet) Exit Tem perature (K) Orifice dP (Pa)

5/3 3.00 10.20 10.4 21.50 22.00 1036 113.3

5/23 3.00 10.10 10.5 21.00 21.50 1026 110.8

6/6 3.00 10.10 10.6 22.50 23.50 1022 -