Chemical Kinetics and Computational Fluid-Dynamics Analysis of H2/CO/CO2/CH4 Syngas Combustion and NOx Formation in a Micro-Pilot-Ignited Supercharged Dual Fuel Engine
Abstract A chemical kinetics and computational fluid-dynamics (CFD) analysis was performed to evaluate the combustion of syngas derived from biomass and coke-oven solid feedstock in a micro-pilot ignited supercharged dual-fuel engine under lean conditions. For this analysis, a reduced syngas chemical kinetics mechanism was constructed and validated by comparing the ignition delay and laminar flame speed data with those obtained from experiments and other detail chemical kinetics mechanisms available in the literature. The reaction sensitivity analysis was conducted for ignition delay at elevated pressures in order to identify important chemical reactions that govern the combustion process. We have confirmed the statements of other authors that HO2+OH=H2O+O2, H2O2+M=OH+OH+M and H2O2+H=H2+HO2 reactions showed very high sensitivity during high-pressure ignition delay times and had considerable uncertainty.
Hydrotreated Vegetable Oils, Biomass to Liquid and Fatty Acid Methyl Ester as Biogen Admixtures for Diesel Engines in Passenger Cars
Abstract The increasingly stringent emission legislation worldwide and the demand for independence from fossil energy carriers represent major challenges for the future development of diesel engines, particularly for maintaining the diesel engine’s positive characteristics, such as its dynamic driving performance and fuel economy, while drastically reducing emissions. This survey investigates alternative fuel blends used in a state-of-the-art EURO 6 diesel engine with different shares of biomass to liquid, hydrotreated vegetable oils and fatty acid methyl ester, which present a possibility to meet these requirements. In particular, the reduction of particulate matter and, as a result, the possibility to reduce nitrogen oxides emissions holds remarkable potential for the application of synthetic fuels in diesel engines. The investigated fuel blends generally demonstrate good applicability when used in the test engine with standard settings.
Abstract SASOL IPK is a low cetane number synthetic fuel formed from coal by the Fischer-Tropsch process which can be used as an extender to JP8, currently used in military ground vehicles. This paper presents two surrogates developed considering the following criteria: (a) availability of kinetic combustion models for each component, (b) smallest number of components to reduce computation time and cost, (c) matching the following properties of target fuel DCN, distillation curve, density, LHV, MW and H/C ratio. The autoignition and combustion characteristics of the surrogates were validated in IQT according to ASTM D6890-10a. Surrogate formulation strategy involves an equation to calculate DCN of the surrogate mixture from the DCN of each component. The linear equation commonly used for such calculations was modified to include a multiplier, based on regression analysis, for each component to produces DCN values that agree well with the measured DCN in the IQT.
Derived Cetane Number, Distillation and Ignition Delay Properties of Diesel and Jet Fuels Containing Blended Synthetic Paraffinic Mixtures
Abstract Aviation turbine fuel and diesel fuel were blended with synthetic paraffins produced via two pathways and the combustion properties measured. Both aviation and diesel fuel containing synthetics produced from the fermentation of sugars, had a linear response to blending with decreasing ignition delay times from 5.05 - 3.52 ms for F-34 and 3.84 - 3.52 ms for F-76. For the same fuels blended with synthetics produced from the fermentation of alcohols, ignition delay times were increased out to 18.66 ms. The derived cetane number of the blends followed an inversely similar trend. Additionally, simulated distillation using ASTM D2887 at high synthetic paraffinic kerosene blend ratios resulted in the recovery temperatures being incorrectly reported. In this case, higher recovery volumes were at lower temperatures than earlier recovery points i.e. T90< T50, for SIP-SPK.
Abstract The ignition and flame stabilization characteristics of two synthetic fuels, having significantly different cetane numbers, are investigated in a constant volume combustion vessel over a range of ambient conditions representative of a compression ignition engine operating at variable loads. The synthetic fuel with a cetane number of 63 (S-1) is characterized by ignition delays that are only moderately longer than n-dodecane (cetane number of 87) over a range of ambient conditions. By comparison, the synthetic fuel with a cetane number of 17 (S-2) requires temperatures approximately 300 K higher to achieve the same ignition delays. The much different ignition characteristics and operating temperature range present a scenario where the lift-off stabilization may be substantially different.
Abstract This paper focuses on the thermodynamic analysis of Solid Oxide fuel cell (SOFC). In the present work the SOFC has been modeled to work with internal reforming of fuel which takes place at high temperature and direct energy conversion from chemical energy to electrical energy takes place. The fuel-cell effluent is high temperature steam which can be used for co-generation purposes. Syn-gas has been used here as fuel which is essentially produced by steam reforming of methane in the internal reformer of the SOFC. A thermodynamic model of SOFC has been developed for planar cell configuration to evaluate various losses in the energy conversion process within the fuel cell. Cycle parameters like fuel utilization ratio and air-recirculation ratio has been varied to evaluate the thermodynamic performance of the fuel-cell. Output performance parameters like terminal voltage, cell-efficiency and power output have been evaluated for various values of current densities.
Abstract To determine the auto-ignition and combustion mechanisms and the components of syngas that are applicable to homogeneous charge compression ignition (HCCI) engines, the combustion characteristics and the chemical reaction process in an HCCI engine were studied numerically and experimentally using mock syngas with various mixtures of the fuel components. The mock syngas consisted of hydrogen (H2) and carbon monoxide (CO) as the main combustible components, nitrogen (N2) and carbon dioxide (CO2) as incombustible components and a small amount of methane (CH4), assuming the composition of the gas was produced from wood by thermochemical conversion processes. The oxidation reaction process was analyzed numerically using CHEMKIN-PRO. Further experiments were conducted to investigate the validity of the calculated results. Primarily, the effects of hydrogen and carbon monoxide on auto-ignition and combustion were investigated.
Turbulent Burning Velocities of Stoichiometric Hydrogen-Carbon Monoxide-Air Flames at Elevated Pressures
Abstract Syngas, is an alternative fuel consisting mainly of hydrogen and carbon monoxide in various proportions. An understanding of the effects of the varying constituents on the combustion characteristics is important for improvement of the thermal efficiency of syngas-fueled engines. The effects of hydrogen concentration and mixture pressure on the turbulent burning velocity of outwardly propagating stoichiometric flames of hydrogen-carbon monoxide-air were studied in a constant volume fan-stirred combustion chamber at a constant mixture temperature of 350 K. The mole fraction of hydrogen in the binary fuel was varied from 0 to 1.0, at mixture pressures of 0.10, 0.25 and 0.50 MPa. The turbulence intensity was kept constant at 3.27 m/s. For fixed mixture pressures, it was found that the turbulent burning velocity increased with an increase in hydrogen fraction primarily due to increase in the unstretched laminar burning velocity.
A Comprehensive Evaluation of Performance and Emissions from UltraClean™ Diesel in Medium Duty Engines
Abstract Bioethanol and plant oil-derived biodiesel are generally considered first generation biofuels. More sustainable and cost effective new biofuels are being designed and produced using modern tools of metabolic engineering and synthetic biology. These new microbial fuels have great potential to become viable alternatives and supplements for petroleum-derived liquid transportation fuels. MAN Latin America has worked in cooperation with REG Life Sciences, a North American industrial biotechnological company, to help in the development of high quality fuels for automotive purposes. The aim of this paper is to present the test engine results of a novel microbially produced fatty acid methyl ester (FAME), under the banner of UltraClean™ Diesel, in a Proconve P7 (Euro V) MAN D0834, diesel engine. Described are a comprehensive performance and emissions evaluation as well as an interpretation of the primary fuel properties.
Abstract Nowadays, there is a permanent need to develop alternative fuel production and combustion technologies. The general objective indicated in Directive 2009/28/EC for biofuels in Poland is application in transport 10% of renewable energy by 2020 and 20% by 2030. In Poland, it can be achieved by adding bio-components to liquid fuels. Flexible fuel vehicles are not as popular in Europe as in Brazil, so further ethanol processing is justified. The researched synthetic gasoline was obtained from bioethanol at the Ekobenz Company Ltd. in Poland. In 2008, Sasol launched its 100% synthetic jet fuel produced by CTL (Coal to Liquids). A variety of engine concepts was tested and evaluated in terms of the key criteria for use as a range extender developed by AVL Company. The Wankel engine has been selected for the vehicle prototype as the most compact and of excellent NVH behaviour. The use of this engine in light helicopters is also considered.
Abstract This paper investigated the laminar flame speed behavior of a matrix of ten spark-ignition fuels and fuel components using a spherical combustion bomb. The analysis methodology relied solely on the in-bomb pressure data. For each fuel measurements were performed at five different air-fuel ratios covering a mixture range from lean to rich. Six repeat combustion pressure traces were recorded for each air-fuel ratio, with each record containing approximately 90 data points. The entire sequence was performed at two initial temperatures resulting in a database of over 5000 individual calculations of laminar flame speed per fuel. A regression technique was employed to determine the relevant flame-speed parameters. The fuel matrix included synthetic and conventional crude-derived gasoline fuels as well as a selection of blend components that could be used in the formulation of synthetic gasoline.
Economics of Transportation Hydrocarbon Fuels and Environmental Regulations with Conceptual Solutions - Carbon-Neutral and Carbon-Negative Synfuels
Abstract Of all current proposals for sustainable transportation, the assumption is energy scarcity when there are economically favorable alternatives using existing technology. This paper explores the economics of a sustainable transportation energy pathway that provides carbon-neutral and carbon-negative synthetic fuel derived from seawater as the feedstock and power via Ocean Thermal Energy Cycle (OTEC). Seawater-based synthetic fuel is naturally carbon-neutral - different synthesis processes can yield hydrogen, methane, methanol and ethanol as well as gasoline, diesel or jet fuel - and is carbon-negative when combined with aquaculture. Methanol is favored as a fuel as it requires relatively lower capital investment; can be easily transported and stored; can be used as a feedstock to many chemical processes that currently rely on petrochemicals; and can be coproduced with or converted to dimethyl ether.
This paper presents an experimental, numerical and theoretical study of the performance of the same spark ignition engine running on four different gaseous fuels: hydrogen, two synthesis gases and natural gas. Measurements of the brake thermal efficiency, the combustion variability, the engine out emissions and the indicated, pumping and friction mean effective pressures are first presented, with particular interest placed on the lean burn performance. Combustion analysis is then undertaken, with the crank angle resolved in-cylinder turbulence and the flame propagation plotted on the so-called ‘Bradley diagram’ for turbulent premixed combustion. The loci of the combustion events on the Bradley diagram are then used to explain the observed, relative performance of the engine running on these four fuels.
Ignition delay of undiluted syngas mixtures with different compositions of H₂, CO, CO₂, N₂ and air was measured using a shock tube. Experiments were conducted under various conditions of pressure of 0.2 and 1.0 MPa, temperature from 757 to 1280 K, and equivalence ratio of 0.3 and 1.0. The testing data set was analyzed based on methods including: Arrhenius-type correlation (to assess the effect of pressure, temperature, equivalence ratio, and fuel composition on ignition characteristics), use Davis's mechanism (to calculate ignition delay). The obtained results using Arrhenius-type correlation and Davis's mechanism showed a far difference from experimental values. A detailed analysis was conducted to evaluate the influence of perturbation from shock tube experiments on chemical induction time of the syngas. The ignition delays, considered the effect of non-ideal conditions, are shorter than ones which predicted with ideal conditions.
It is well known that the addition of gaseous fuels to the intake manifold of diesel engines can have significant benefits in terms of both reducing emissions of hazardous gases and soot and improving fuel economy. Particularly, the addition of LPG has been investigated in numerous studies. Drawbacks, however, of such dual fuel strategies can be found in storage complexity and end-user inconvenience. It is for this reason that on-board refining of a single fuel (for example, diesel) could be an interesting alternative. A second-generation fuel reformer has been engineered and successfully tested. The reformer can work with both gaseous and liquid fuels and by means of partial oxidation of a rich fuel-air mix, converts these into syngas: a mixture of H₂ and CO. The process occurs as partial oxidation takes place in an adiabatic ceramic reaction chamber. High efficiency is ensured by the high temperature inside the chamber due to heat release.
Influence of Fischer-Tropsch Incorporation on Engine Outputs and Performances of a Modern Diesel Engine with Standard and Optimized Settings
In a context of a fossil reserve depletion and reduction of greenhouse gases (GHG) emissions, the search for new energy for transport is fundamental. Among those new energies, alternative fuels and especially synthetic fuel from Fischer-Tropsch process (so-called XtL, "X-to-Liquid" fuels) seem to have an interesting potential in terms of availability and GHG emission reduction, according to the feedstock used. Due to the special properties of such products, especially high cetane number, several strategies of incorporation can be envisaged: as a blend in specific basestocks in order to obtain a conventional fuel or a premium fuel or as a pure component. In order to assess these strategies; a standard diesel fuel (B0), a blend with 40%vol of Fischer-Tropsch and a neat Fischer-Tropsch have been tested on a modern downsized high pressure direct injection single-cylinder diesel engine. The used Fischer-Tropsch fuel is a commercial GtL - Gas to Liquid, with a cetane number higher than 80.
This paper investigates the effects of Fischer-Tropsch Diesel (FTD) (a completely a paraffinic fuel) on the fuel supply system in automotive applications. In particular, the effects of Gas to Liquid (GTL) (an FTD synthesized from natural gas) on the elastomer components has been investigated by laboratory scale tests and field trials. In the field trials, GTL was supplied to a commercial vehicle operator and the effect of real running conditions was observed. Also, the laboratory scale testing to simulate the actual condition of usage of a commercial vehicle was conducted under stringent conditions, and a correlation with the field trials was investigated. As a result, no negative effects related to GTL were found.
The lubricating properties of two sustainable alternative diesels blended with ultra low sulphur diesel (ULSD) were investigated. The candidate fuels were a biodiesel consisting of fatty acid methyl esters derived from rapeseed (RME) and gas-to-liquid (GTL). Lubricity tests were conducted on a high frequency reciprocating rig (HFRR). The mating specimen surfaces were analysed using optical microscopy and profilometery for wear scar diameters and profiles respectively. Microscopic surface topography and deposit composition was evaluated using a scanning electronic microscope (SEM) with an energy dispersive spectrometer (EDS). Like all modern zero sulphur diesel fuel (ZSD), GTL fuels need a lubricity agent to meet modern lubricity specifications. It has been proven that GTL responds well to typical lubricity additives in the marketplace.
Cycle Efficiency and Gaseous Emissions from a Diesel Engine Assisted with Varying Proportions of Hydrogen and Carbon Monoxide (Synthesis Gas)
This study investigates the combustion and emissions of a compression ignition (CI) engine operating with mixtures of hydrogen (H₂) and carbon monoxide (CO) injected with the intake air. Hydrogen and carbon monoxide were chosen as the gaseous fuels, because they represent the main fuel component of synthesis gas, which can be produced by a variety of methods and feed stocks. However, due to varying feed stock and production mechanisms, syngas composition can vary significantly. It is currently unknown how a varying H₂/CO (syngas) ratio affects the cycle efficiency and gaseous emissions. The experiments were performed on an air-cooled, naturally aspirated, direct injection diesel engine. The engine was operated at 1800 RPM with a compression ratio of 21.2:1. Two load conditions were tested; 2 bar and 4 bar net indicated mean effective pressure (IMEPⁿ). For all test conditions the added syngas demonstrated lower cycle efficiency than the diesel fuel baseline.
Highly non-polar/non-conducting media such as natural or synthetic oils cannot be analysed by conventional single phase solution voltammetry, but it is shown here that, when they are deposited onto suitable basal plane pyrolytic graphite electrode surfaces, the triple phase boundary reaction zone in liquid | liquid two-phase systems in contact to a graphite electrode can be exploited for the electrochemical determination of the content and activity of anti-oxidants such as Irganox L-135 and L-57 in fuel (methyl-laurate) and in oil (commercially available API Group III base oil) media.
Synthetic fuels are expected to play an important role for future mobility, because they can be introduced seamlessly alongside conventional fuels without the need for new infrastructure. Thus, understanding the interaction of GTL fuels with modern engines, and aftertreatment systems, is important. The current study investigates potential benefits of GTL fuel in respect of diesel particulate filters (DPF). Experiments were conducted on a Euro 4 TDI engine, comparing the DPF response to two different fuels, normal diesel and GTL fuel. The investigation focused on the accumulation and regeneration behavior of the DPF. Results indicated that GTL fuel reduced particulate formation to such an extent that the regeneration cycle was significantly elongated, by ∼70% compared with conventional diesel. Thus, the engine could operate for this increased time before the DPF reached maximum load and regeneration was needed.
In three recent engine testing research projects involving comparisons of Low Temperature Fischer Tropsch (LTFT) synthetic diesel with conventional crude derived diesel, findings have included indications of significantly lower engine cylinder wear rates in engines running on Fischer Tropsch (FT) diesel. Close examination of the engine oil analysis from the second comparative study has strongly indicated that the differences in cylinder wear rate can be ascribed to the choice of fuel. None of the three studies were originally formulated for this aspect of comparison and only the second study is able to prove that this is in fact a fuel specific advantage attributed to FT diesel fuel. This paper reports on the details of the three projects in respect to this issue, presents analysis of the experimental data and preliminary investigations attempted in an effort to understand this phenomenon.
Performance, Efficiency and Emissions Comparison of Diesel Fuel and a Fischer-Tropsch Synthetic Fuel in a CFR Single Cylinder Diesel Engine during High Load Operation
Fischer-Tropsch (FT) synthetic fuels have been shown to produce lower soot and oxides of nitrogen emissions than petroleum-based diesel #2 (D2) in previous studies. This performance is frequently attributed to the very low aromatic content as well as essentially zero sulfur content. The objective of this empirical study was to investigate the high engine load regime using a military FT and D2 fuel in a CFR diesel engine at fueling levels approaching stoichiometric. A testing matrix comprised of various injection advance set points, fueling amounts (e.g. load) above 6 bar gross indicated mean effective pressure (IMEPg), and three different compression ratios (CR) was pursued. The results show that oxides of nitrogen emissions are always equal to or lower running FT compared to diesel. This result is attributed to the higher cetane number of FT leading to lower peak in-cylinder pressures as compared to D2.
An Evaluation of the Speciated Exhaust Emissions Associated with South African Gasolines in an EU4 Vehicle
An EU4 compliant vehicle was tested according to the ECE R83.05 procedure, with dilute and speciated modal analysis, on a European EN228:2004 gasoline and 3 South African gasolines, one of which is a synthetic gasoline made from coal using the Fischer-Tropsch process. The synthetic fuel had broadly similar regulated emissions to the EN228 fuel while the two South African crude derived fuels had significantly higher HC and NOx emissions. The synthetic fuel's exhaust olefins were similar to the EN228 fuel and aromatics were significantly lower than all the other fuels. The photochemical reactivity of the synthetic fuel was seen to be similar to the EN228 while the South African crude derived fuels were significantly higher.
Transient Performance of a Non-Catalytic Syngas Generator for Active DPF Regeneration and NOx Reduction
Alternatives to UREA Selective Catalytic Reduction are being investigated by most engine manufacturers. A non-catalytic syngas generator allows production of hydrogen and carbon monoxide without the need to modify engine operating conditions. Durability of the syngas generator is enhanced due to the fact that it does not contain any catalyst. The syngas can be used for both active regeneration of Diesel Particulate Filters and Lean NOx Traps.
Study of Reformer Gas Effects on n-Heptane HCCI Combustion Using a Chemical Kinetic Mechanism Optimized by Genetic Algorithm
Because of the potential for low NOx emissions with high efficiency, HCCI engines could develop a significant niche in the engine world. However, HCCI engines suffer from a narrow operating range between knock and misfire boundaries because the ignition timing is only controlled by mixture chemistry and compression conditions. Varying combinations of operating parameters are required to obtain good combustion under different conditions and chemical kinetic models are widely used as an engine research tool. The performance of such models depends critically on the accuracy of the chemical mechanisms which are still under development and require some optimization, particularly for larger hydrocarbon molecules. This study starts with a Chalmers University mechanism  which is well-proven for pure n-heptane but works less well for mixtures blended with significant amounts of reformer gas containing high fractions of H2 and CO .
Although HCCI engines promise low NOx emissions with high efficiency, they suffer from a narrow operating range between knock and misfire because they lack a direct means of controlling combustion timing. A series of previous studies showed that reformer gas, (RG, defined as a mixture of light gases dominated by hydrogen and carbon monoxide), can be used to control combustion timing without changing mixture dilution, (λ or EGR) which control engine load. The effect of RG blending on combustion timing was found to be mainly related to the difference in auto-ignition characteristics between the RG and base fuel. The practical effectiveness of RG depends on local production using a fuel processor that consumes the same base fuel as the engine and efficiently produces high-hydrogen RG as a blending additive.
Effect of Fuel Chemical Structure and Properties on Diesel Engine Performance and Pollutant Emissions: Review of the Results of Four European Research Programs
During recent years, the deterioration of greenhouse phenomenon, in conjunction with the continuous increase of worldwide fleet of vehicles and crude oil prices, raised heightened concerns over both the improvement of vehicle mileage and the reduction of pollutant emissions. Diesel engines have the highest fuel economy and thus, highest CO2 reduction potential among all other thermal propulsion engines due to their superior thermal efficiency. However, particulate matter (PM) and nitrogen oxides (NOx) emissions from diesel engines are comparatively higher than those emitted from modern gasoline engines. Therefore, reduction of diesel emitted pollutants and especially, PM and NOx without increase of specific fuel consumption or let alone improvement of diesel fuel economy is a difficult problem, which requires immediate and drastic actions to be taken.
This study improved the computational efficiency significantly using parallel computation and reduced mechanisms. A 3-dimensional engine moving mesh of intake port, exhaust port and combustion chamber was established for HCCI engine cycle simulation. To achieve a more accurate analysis, chemical kinetics was implemented into the CFD code to study the intake, spray, ignition, combustion, and pollution formation process in HCCI engine. The simulations were run on a cluster of 16-CPU, parallelized by Message-Passing Interface (MPI) mode. The cases with detailed and reduced reaction mechanisms were calculated using 1, 2, 4, 8, 16 CPUs respectively and the corresponding computational time and speed-up were discussed. Using MPI 8-CPU with reduced mechanism (less than 40 species) is the optimal scheme for CFD/Chemistry calculation of typical HCCI engine.
As the real-time supplying of hydrogen-rich gas becomes possible by the advances in the on-board fuel reforming technologies, utilizations of synthetic gas in IC engines are actively studied. However, due to the lack of fundamental studies on the combustion characteristics of synthetic gas, there is no precedent for the simulation of combustion process in synthetic gas fueled SI engine. In this study, the laminar flame speeds of synthetic gas and its mixture with iso-octane were calculated under extensive initial conditions of 3,575 points derived by combinations of temperature, pressure, fraction of lower heating value of synthetic gas and air-excess ratio variations.