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Energy Conversion and Management 44 (2003) 907921

www.elsevier.com/locate/enconman

Study on prediction of the eects of design and operating parameters on NOx emissions from a leanburn natural gas engine
Ugur Kesgin
*

Faculty of Mechanical Engineering, Department of Naval Architecture, Yildiz Technical University, TR 80 750, Besiktas, Istanbul, Turkey Received 17 November 2001; accepted 11 April 2002

Abstract With increasingly strict emission regulations, engine manufacturers are developing new strategies and technologies to reduce exhaust gas emissions. Thus, exhaust gas emission limits and test procedures for internal combustion engines, as well as for other combustion systems, have had a market impact upon the development of the engines and systems. Because of the requirement for good fuel economy and low NOx emissions that dominate engine design practice, reducing NOx emissions requires a detailed understanding of the chemical pathways for emission formation. Over the past several years, an increasing number of models for the formation of exhaust gas emissions have been implemented. In recent years, both environmental and economic concerns have stimulated a strong interest in using natural gas for internal combustion engines. One of the reasons to use natural gas as the fuel in engines is the ability to produce relatively little NOx . This paper deals with the eects of design and operational parameters on the NOx emissions of a turbocharged natural gas engine. Within the framework of a detailed research and development project in cooperation with university and industry, a gas engine series used in combined power plants has been optimised regarding power, eciency and emissions. Since an evaluation of the emission behaviour is increasingly important, the nitrogen oxide emission and its dependence on engine operational and geometrical conditions were investigated by using a zero dimensional reaction kinetic model as well as experimental studies. 2002 Elsevier Science Ltd. All rights reserved.
Keywords: NOx modelling; Natural gas engine; Operational and design parameters

Tel./fax: +90-212-258-21-57. E-mail addresses: kesgin@yildiz.edu.tr, kesgin@yahoo.com (U. Kesgin).

0196-8904/02/$ - see front matter 2002 Elsevier Science Ltd. All rights reserved. PII: S 0 1 9 6 - 8 9 0 4 ( 0 2 ) 0 0 0 9 3 - 6

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1. Introduction With increasingly strict international, national and other institutional legislations on emissions [1,17,31,41,43], engine manufacturers are developing new strategies and technologies to reduce exhaust gas emissions. Thus, exhaust gas emission limits and test procedures for internal combustion engines, as well as for other combustion systems, have had a marked impact upon the development of the engines and systems. Earlier design objectives were driven mainly by eciency, reliability and durability. These items are still of signicant importance but have become secondary with respect to development eort since the advent of exhaust emission limits [3]. Since low NOx emissions dominate engine design practice, reducing NOx emissions requires a detailed understanding of the chemical pathways for emission formation. Over the past several years, an increasing number of models for the formation of exhaust gas emissions have been implemented. While nitric oxide (NO) and nitrogen dioxide (NO2 ) are usually grouped together as NOx emissions, NO is the predominant oxide of nitrogen produced inside the engine cylinder. The principle source of NO is the oxidation of atmospheric (molecular) nitrogen. However, if the fuel contains signicant nitrogen, the oxidation of the fuel nitrogen containing compounds is an additional source of NO [20]. Also, the main sources of nitrogen oxide emissions in combustion are oxidation of molecular nitrogen in the post ame zone (termed thermal or Zeldovich NO), formation of NO in the ame zone (prompt or Fenimore NO) and oxidation of nitrogen containing compounds in the fuel (fuel bound or Pershing and Wendt NO) [21,44]. The relative importance of these three sources of nitrogen oxide depends on the operating conditions and the type of fuel [9]. The mechanism of NO formation has been studied extensively. Hill and Smoot [21] gave a detailed review of the modelling of NOx reactions in combustion systems with an emphasis on coal red systems, including current NOx control technologies, NOx reaction processes and techniques to calculate chemical kinetics in turbulent ames. Additionally, a lot of research work based on a quasi-dimensional, two zone combustion model for calculation of nitrogen oxide formation in internal combustion engines has been done [4,15,19,24,2729,46]. Engine design aecting combustion temperature, timing of fuel injection or ignition, mixture formation, speed of pressure rise during combustion and the air/fuel ratio have been identied as key factors in this thermal NOx formation. Also, the temperature and relative humidity of the ambient combustion air, the barometric pressure and the performance of the air/mixture intercooler aect the amount of NOx generated from internal combustion engines. In recent years, both environmental and economic concerns have stimulated a strong interest in using natural gas for internal combustion engines. One of the reasons to use natural gas as the fuel in engines is the ability to produce relatively little NOx . Consequently, a lot of research has been done to improve and to investigate natural gas engines regarding power, eciency and emissions. Beutler and Naumann [6,7] give a detailed review about the use of natural gas as an alternative fuel. They reported general technical aspects, cost estimation and emission behaviour of various vehicle classes powered with natural gas. Rau [37] and Schigens [40] researched the inuence of gas quality on the performance and emission behaviour of natural gas engines. Dietrich and Grundmann [12,13] investigated the homogeneous leanburn concept with pressure charging. Klimstra [23] reported about the performance characteristics and emission behaviour of leanburn natural gas fuelled engines. Quirchmayr [36] studied the inuence of excess air ratio, spark timing,

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engine load, ignition system and fuel type on the performance and emission behaviour of a leanburn engine series. Athenstaedt [3] gives a wide review about how the TA Luft is aecting the development trends for gas engines. Chmela and Kapus [10] reported about a novel combustion system for leanburn gas engines. They developed a special combustion chamber, which is able to generate a high turbulence level and, thus, achieve an extremely low emission level. In addition to those mentioned above, there are numerous studies in the literature about NOx formation and its reduction techniques in internal combustion engines, as well as in leanburn gas engines [2,18,26,30,38]. In recent years, some researchers have also reported the multi-dimensional modelling of pollutant formation in internal combustion engines [8,25,34,42]. This paper deals with the eects of design and operational parameters on the NOx emissions of a turbocharged natural gas engine. Within the framework of a detailed research and development project in cooperation with university and industry, a gas engine series with 12, 16 and 20 cylinders, which are used in combined power plants, has been optimised regarding power, eciency and emissions. Stationary internal combustion engines for combined power and heat plants must fulll increasingly strict emission regulations. At the beginning of the project, this meant adherence to the limit values of TA air regarding NOx emissions, which at the time was 500 mg NOx in 5% O2 . During the course of the project, the competitivness of having lower emissions created a requirement for even better emission control such that the target values were lowered to 250 mg (1/2 TA air) [5,22,39]. Since an evaluation of the emission behaviour is increasingly important, the nitrogen oxide emission and its dependence on engine operational and geometrical conditions were investigated by using a zero dimensional reaction kinetic model, as well as experimental studies.

2. Engine description To commence the study, a base engine to be optimised was chosen as a strongly leanburn engine (Table 1) with 1500 rpm. One of the primary optimisation targets in engine development is maximisation of the eciency while, at the same time, producing minimum NOx emissions. The representation of the dierence of this eciencyNOx trade o as observed on test stand trials for various crank versions was one of the major tasks of these investigations. The applicability of the results obtained for the base engine test stand observations as examined for use with other engine models, as shown in Table 2. Engine 2 represents a concept with the same stroke/bore ratio as the base engine. In order to avoid high piston speeds, the engine speed was reduced to 1000 rpm. In Engine 3, only the stroke was reduced to 190 mm, to achieve a square stroke/bore ratio.
Table 1 Specications of the natural gas engine (Engine 1) Stroke/bore (mm/mm) Stroke/bore ratio Excess air ratio Mean eective pressure (bar) Compression ratio Number of valves 220/190 1.16 >1.7 16 11 2 exhausts, 2 inlets

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Table 2 Engine design parameters Engine description Engine 2 Engine 3 Engine 4 Bore (mm) 255 190 190 Stroke (mm) 295 190 220 Stroke/bore 1.16 1.0 1.16 Speed (rpm) 1000 1500 1340

Further investigation should examine to what extent, if any, a modication in engine speed, starting from the base concept, compared with other stroke/bore ratios can be achieved. The basic condition for comparison of dierent engine versions is, primarily, the shape of the heat release. This is determined again by multiple parameters, like the geometry of the combustion chamber, stroke, bore, compression ratio and engine speed, which aect the high pressure phase of the engine cycle, as well as the gas exchange processes. The investigations shown here are limited only to the high pressure phase. Thus, the basic data of the engine parameters stated previously considerably inuence the turbulence level and, with it, the shape of the heat release. The latter determines the thermal eciency, performance and emissions together with the heat transfer. Because the turbulence has a signicant inuence on ame speed and, thus, combustion, as well as eciency, in order to extrapolate the results on new crank versions, the turbulence intensity must be used for comparison. Beran and Kesgin [5] give a detailed discussion about the turbulence levels, which were calculated by a CFD program called FIRE [16], of these engine concepts. Because of space limitations, this discussion will not be repeated here.

3. Calculation NOx emissions For the calculation of NOx formation in combustion engines, a computational program was developed. This computational program is based on a reaction-kinetic model developed by Pattas and Haefner [33] and calculates the NOx formation with the input of engine speed and fuel data, as well as the following: zero dimensionally determined pressure, temperature, excess air ratio, volume and mass, depending on time in the burned zone. The latter is necessary because the theory for NOx formation is based on the dissociation of N2 and O2 molecules following the high temperature of the gas in the front of the ame. The reactions utilized for the calculation of NOx formation and the rate constants used for these reactions are represented together in Table 3 [33]. The calculation of NOx formation is begun at the combustion start. In this reaction kinetic model, the chemical equilibrium of 19 dierent concentrations is used, which are calculated with the help of a program developed at the Institute for internal combustion engines and thermodynamics of the Technical University of Graz [11]. These concentrations are: CO2 , O2 , H2 O, N2 , Ar, CO, CH4 , C, O, O3 , OH, H, H2 , N, NO, NO2 , NH3 , HNO3 , HCN. During the calculation, it was also necessary to calculate the concentration of N2 O. This is aided by the statically averaged equilibrium constants as partial pressure relation, which is obtained as follows [33].

U. Kesgin / Energy Conversion and Management 44 (2003) 907921 Table 3 Reactions for NOx formation No. 1 2 3 4 5 6 Reaction N2 O $ NO N O2 N $ NO O OH N $ NO H NO2 O $ NO NO O2 N2 $ N2 O O OH N2 $ N2 O H Forward reaction Acm3 /mol s 4:93E 13 1:48E 08 4:22E 13 4:58E 13 2:25E 10 9:14E 07 B 0.0472 1.5 0 0 0.825 1.148 Ekcal/mol K )75.59 )5.68 0 )24.1 )102.5 )71.9

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Rate coecients in the form k AT B expE=T .

  N2 O 18:71 6 0:6125 p 1:1802 10 T1 exp RT N2 O 2 The underlying measurements were executed at a research gas engine (Table 1) and analysed with the program system motor simulation and evaluation system (MOSES) developed at the Institute for internal combustion engines and thermodynamics of the Technical University of Graz [45]. The necessary data mentioned above for NOx calculation were received from these analyses. Applying the well known method to predict the heat release and the heat transfer, the zero dimensional combustion process simulation is used, thus determining the engine cycle at a particular engine operating condition. To calculate the NO formation, the mean gas temperature is divided into two zones: a burned zone with a ame temperature and an unburned zone. Detailed information about the two zone combustion model can be found in Pischinger et al. [35]. The combustion can be modelled either by giving heat release percentages point by point over crank angle or by using a VIBE function, which is dened by the start of combustion, the combustion duration, a shape parameter m, also called the form factor, and a parameter a. The larger VIBE form factor m describes how late an energy conversion occurs during combustion. The VIBE parameter a is equal to 6.9 for a complete combustion [35]. By adapting the calculation of combustion models to dierent engine operating conditions, the calculation model presented here allows the prediction of the change in NO emission depending on engine load, engine speed, charge air pressure, charge air temperature, humidity of the combustion air, fuel type, combustion characteristics (start, duration and form of combustion) and exhaust gas recirculating rate. Because of a very strong non-linear dependency of the NOx formation on the gas temperature, the amount of computed nitrogen oxide emissions were calibrated to the level of the measured values from the engine exhaust system. This calibration is naturally critical concerning the general validity of the NOx model. Even with a limited application of certain combustion concepts, nevertheless, very useful results can be obtained. This is due to the fact that the basic relations and dependencies obtained are qualitatively correct and also suciently accurate quantitatively. Fig. 1 shows a measurement and a calculation comparison for ten dierent operating points with different excess air ratio, charge pressure and ignition times. The measurements were executed at an ecient modern test stand. Apart from the high and low pressures indicated, additional integral values of the measured values were as follows: general engine characteristics, turbocharger data, temperatures and pressures for air, oil and cooling systems, the exhaust gas emissions etc.

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Fig. 1. Comparison of calculation with measurement for NOx formation.

4. Eect of design and operating parameters on NOx emissions In order to execute parametric studies and to examine basic relations, application of the zero dimensional process calculation is particularly helpful and ecient. Thus, under the specication of the VIBE form factors derived by using heat release calculated from the three dimensional combustion model, variation calculations were also executed for dierent combustion starts and combustion durations. The results are represented via isolines for constant indicated eciency and for constant emissions (Figs. 25). From these results, basic information about the eciency and emissions of the respective concepts can be determined immediately.

Fig. 2. Engine eciency and NOx emissions for Engine 1.

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Fig. 3. Engine eciency and NOx emissions for Engine 2.

Fig. 4. Engine eciency and NOx emissions for Engine 3.

4.1. Start, duration and form of combustion Spark timing signicantly aects NO emission levels. Advancing the timing so that combustion occurs earlier in the cycle increases the peak cylinder pressure (because more fuel is burned before top dead centre (TDC) and the peak pressure moves closer to TDC where cylinder volume is smaller), while retarding the timing decreases the peak cylinder pressure (because more of the fuel burns after TDC). Higher peak cylinder pressures result in higher peak burned gas temperatures

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Fig. 5. Engine eciency and NOx emissions for Engine 4.

and, hence, higher NO formation rates. For lower peak cylinder pressures, lower NO formation results [20]. Naturally, the highest eciency occurs at the maximum brake torque, hence retarding the timing moves away from this point and increases the specic fuel consumption. [9]. The same eects mentioned above for combustion start on the rate of NOx emissions and on the engine eciency for these engine concepts can be determined from Figs. 25. As it can be seen from these gures, the longer combustion durations result in a lower amount of NOx emissions. Furthermore, in order to see the eect of the VIBE form factor on the emissions, the form factor was varied from 1.5 to 2 for the base engine. The results are shown in Fig. 6. The peak gas temperature in the cylinder and, thus, the amount of NOx emissions decreases with the larger form factors.

Fig. 6. Eect of the form factor on NOx emissions (Engine 1).

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4.2. Stroke/bore ratio and swept volume In order to clarify the eect of stroke/bore ratio on NOx rate, the results of Engines 1 and 3 are compared in Fig. 7. The higher is the stroke/bore ratio, the higher is the heat transfer surface area and, thus, the lower the gas temperatures and NOx emissions. Comparing the results of Engines 2 and 3 at the same stroke/bore ratio (Figs. 2 and 3), one can see the eect of the swept volume for the same displacement. Because of the lower gas temperature, the level of NOx emissions decreases with the increase in swept volume. 4.3. Engine speed The engine system is typically designed to give optimum fuel economy at moderate speeds, at which it is usually operated. Temperature levels increase with speed due to reduced cooling and increased hot residuals which increases NOx [9]. With a reduction in engine speed, more energy is transported over the combustion chamber walls, whereby the thermal eciency is reduced. At the same time, the NOx emissions are lowered due to the reduced temperature level in the cylinder. The proportionately smaller wall heat losses of the concept of Engine 2, given by the smaller number of revolutions and the associated longer times for wall heat transfer during each cycle, results in the fact that the eciency of Engine 2 is situated within the range of Engine 1, see Figs. 2 and 3. Since the NOx formation is determined by the time available, higher NOx emissions arise as a result of the smaller number of revolutions. The worst situation for the engine eciency is Engine 3, which uses a crank version with a square stroke/bore ratio. Fig. 8 shows the eect of the engine speed on the NO emissions for Engines 1 and 3.

Fig. 7. Eect of the stroke/bore ratio on NOx emissions (Engines 1 and 3).

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Fig. 8. Eect of the engine speed on NOx emissions (Engines 1 and 4).

4.4. Charge pressure The base engine is loaded with a charge pressure of 2 bar. The load of the mixture cooler (intercooler), at the same exit temperature from the cooler, increases with a higher charge pressure. As explained above, higher charge pressures result in higher peak cylinder pressures and higher peak burned gas temperatures, and hence, higher NOx formation rates are produced as a result. Fig. 9 shows the NOx formation for various charge pressures, which depend on combustion

Fig. 9. Eect of the charge pressure on NOx emissions for Engine 1.

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start and duration. As can be seen, higher charge pressures cause an increase in the amount of NO formation in the base engine. 4.5. Charge temperature The NOx production is very sensitive to the temperature of the charge. In order to clarify the eect of charge temperature on emissions, the temperature at the time of inlet valve closing was varied from 329 to 354 K, which is in the temperature range for stationary natural gas engines. Fig. 10 shows the eect of charge temperature on NOx formation for various combustion starts and durations of the base engine. Because the reactions are slow, the amount of NO produced is controlled by the rate of reaction. Thus, lower temperatures, which greatly reduce the reaction rate, lower the amount of NO produced before expansion lowers the temperature to about 1800 K, where the reactions freeze [9]. 4.6. Excess air ratio The eect of excess air ratio, and also leaner operation of the base engine, on emissions is shown in Fig. 11. The excess air ratio was varied from 1.55 to 2. Reduction of the fuelair ratio to leaner and leaner conditions reduces CO and HC emissions as long as the ame speed and ignitability do not become a problem. Lean operation needs extra air. This results in greater cooling of the cylinder charge. Lower ame temperatures are produced during the cylinder processes, which reduce the NO formation. Not only are emissions reduced, but also fuel economy is improved by lean operation. However, lower ame speed creates drivability problems and, in the limit, partial burning of the charge. The partial burning takes place because the slow moving ame burns during the rapid expansion stroke of the piston, which causes a lowering of the

Fig. 10. Eect of the charge temperature on NOx emissions for Engine 1.

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Fig. 11. Eect of the excess air ratio on NOx emissions for Engine 1.

temperature to a point where the ame will no longer propagate. A second eect of lean operation is to lower the exhaust gas temperature, which is very important for the eciency of the catalyst, if it exists [9,23].

5. Conclusions A computer program to calculate the amount of NOx emissions based on a reaction kinetic model with six reactions and 19 species was developed. It calculates the NOx emissions with the input of engine speed and fuel data as well as the following data: zero dimensionally determined pressure, temperature, excess air ratio, volume and mass depending on time in the burned zone, resulting from a two zone engine cycle simulation program. The validity of the program presented here was veried by measurements from a turbocharged, leanburn, natural gas engine. The results are represented via isolines for constant indicated engine eciency and for constant emissions. From this, basic information about the eciency and emissions of the respective concepts can be readily determined. Further, the eect of operational and design parameters of dierent engine concepts were investigated. The results show a wide improvement potential from an emission point of view and are very useful for developing new engines, which must fulll stricter emission limitations. The following important conclusions can be drawn from the results of this study: The characteristics of the combustion have great inuence on NO formation. The start of combustion and the form factor describing the speed of the heat release highly aect the level of NO emissions. The natural gas engines investigated here produce very little NO emissions with a combustion start after TDC, but operating the engines with a combustion start after TDC is not realistic from an eciency point of view.

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An increase in the engine speed, as a design and operational parameter, causes a signicant decrease in NO emissions. The eect of swept volume on the level of NO emissions is to be considered for development of new engines. As expected, an increase in the excess air ratio causes a signicant decrease in NO emissions. The eect of the pressure and temperature of the cylinder charge shows a wide potential from an emission point of view. Especially charge temperature highly aects the level of NO emissions, as expected. By reducing the charge temperature, the amount of emissions can be decreased to a level sucient to meet standards determined by international, national or other societies.

Acknowledgements The author is grateful to Prof. Dr. Rudolf Pischinger, Head of the Institute for Internal Combustion Engines and Thermodynamics of the Technical University of Graz, for the scholarship and possibility to do this study.

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