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At least 253 records · Page 14

Detailed soot modeling of mixing controlled compression ignition engines

Abstract Most soot simulation is done using relatively simple models that only provide basic information regarding general soot mass due to the high computational cost of more complex models. In this work, a stochastic model capable of detailed soot description has been implemented in a hybrid fashion such that a relatively fast conventional combustion simulation followed by many independent highly parallelizable soot simulations can be used. The model is used to characterize the origin and advection of soot for a diesel engine with a triple injection scheme.

Strickland, Tyler↗

Piston and bowl for gasoline direct injection compression ignition (GDCI)

A piston for use in a GDCI engine cooperates with the wall of a cylinder defined in the engine and with a cylinder head to define a combustion chamber. The surface of the piston that faces the cylinder head defines a bowl that is configured to receive fuel that is dispensed from a fuel injector that is located in the cylinder head substantially along the central axis of the cylinder. The bowl is configured such that substantially all of the injected fuel associated with a combustion event reaches a localized equivalence ratio greater than 0.0 and less than or equal to 1.2 at a time immediately preceding initiation of the combustion event.

Sellnau, Mark C.↗

Environmental, Economic, and Scalability Consideration of Selected Biomass-Derived Blendstocks for Mixing-Controlled Compression Ignition (MCCI) Engines

Co-Optimization of Fuels & Engines (Co-Optima) explores how simultaneous innovations in fuels and engines can boost fuel economy and vehicle performance while reducing emissions. The Analysis of Sustainability, Scale, Economics, Risk and Trade (ASSERT) team supports Co-Optima goals by evaluating environmental and economic drivers and the potential of bioblendstock candidates. The team assesses potential benefits or drawbacks of deploying co-optimized fuels and engines in the transportation sector. This presentation provides guidance into which Co-Optima bioblendstocks may be most economically and environmentally viable when scaled up.

biomass↗

Low soot stoichiometric compression-ignition combustion

A combustion system including a combustion mechanism that injects oxygenated fuel into a combustion chamber. The oxygenated fuel mixes with the intake air in the combustion chamber where the air-fuel ratio in a portion of the combustion chamber is stoichiometric. The combustion mechanism includes an ignition mechanism that ignites the air-fuel mixture that generates a threshold number of particulates during combustion of the air-fuel mixture. The combustion system further includes an exhaust gas recirculation (EGR) device that recirculates a portion of the exhaust gases back into the combustion chamber. The EGR device recirculates the portion of the exhaust to lower combustion temperature resulting in reduced amount of nitrogen oxide in the exhaust. The combustion system further includes a three-way catalytic converter in line with the exhaust channel to convert a second portion of the exhaust gases, leading to lower pollutant emissions than conventional combustion systems.

Pickett, Lyle M.↗

Optical Investigation of Catalyst Heating Operation in a Light-Duty Compression-Ignition Engine

It is well known that cold start engine operation contributes a majority of tail-pipe emissions during a vehicle drive cycle. Aftertreatment catalysts have poor conversion efficiency during this period due to low conversion efficiency at temperatures less than their light-off temperature. A late post injection strategy, with a delayed injection to increase exhaust enthalpy, can help decrease the time required to heat-up the catalyst. However, late injections into conditions with decreasing temperature and density can result in high emissions and combustion instability. In this study a three-injection strategy with a late-post injection was investigated in an optically-accessible engine. For the first two injections (pilot and main) timing and duration were held constant as the post injection timing was swept and duration varied to hold load constant, at a relevant light-load catalyst heating operating condition. Simultaneous double-pass schlieren and OH chemiluminescence data were acquired in an optically-accessible 0.4 L single-cylinder engine to understand spray characteristics and combustion behavior for #2 diesel fuel. Optical images analysis revealed higher liquid penetration and lower vaporization of the liquid fuel jet as post injection is retarded. It is also observed that retarding post injection timing to +25 CAD resulted in lower observed soot concentration in the piston bowl.

99 GENERAL AND MISCELLANEOUS↗

Ignition regimes in rapid compression machines

A rapid compression machine is an experimental apparatus used to study ignition chemistry at conditions that are relevant to internal combustion engines and gas turbines. However, due to the operating characteristics of these devices, heat transfer effects and inhomogeneous ignition events can be encountered. Hence, this paper develops a combustion regime diagram, which incorporates these effects in order to better understand physical in uences on the measurements. This diagram employs familiar Damkohler number and Reynolds number scaling, and seeks to provide an operational guide for rapid compression machine experiments. This diagram is compared to experimental data and good agreement is found.

Heat transfer↗

Gasoline surrogate modeling of gasoline ignition in a rapid compression machine and comparison to experiments

The use of gasoline in homogeneous charge compression ignition engines (HCCI) and in duel fuel diesel - gasoline engines, has increased the need to understand its compression ignition processes under engine-like conditions. These processes need to be studied under well-controlled conditions in order to quantify low temperature heat release and to provide fundamental validation data for chemical kinetic models. With this in mind, an experimental campaign has been undertaken in a rapid compression machine (RCM) to measure the ignition of gasoline mixtures over a wide range of compression temperatures and for different compression pressures. By measuring the pressure history during ignition, information on the first stage ignition (when observed) and second stage ignition are captured along with information on the phasing of the heat release. Heat release processes during ignition are important because gasoline is known to exhibit low temperature heat release, intermediate temperature heat release and high temperature heat release. In an HCCI engine, the occurrence of low-temperature and intermediate-temperature heat release can be exploited to obtain higher load operation and has become a topic of much interest for engine researchers. Consequently, it is important to understand these processes under well-controlled conditions. A four-component gasoline surrogate model (including n-heptane, iso-octane, toluene, and 2-pentene) has been developed to simulate real gasolines. An appropriate surrogate mixture of the four components has been developed to simulate the specific gasoline used in the RCM experiments. This chemical kinetic surrogate model was then used to simulate the RCM experimental results for real gasoline. The experimental and modeling results covered ultra-lean to stoichiometric mixtures, compressed temperatures of 640-950 K, and compression pressures of 20 and 40 bar. The agreement between the experiments and model is encouraging in terms of first-stage (when observed) and second-stage ignition delay times and of heat release rate. The experimental and computational results are used to gain insight into low and intermediate temperature processes during gasoline ignition.

02 PETROLEUM↗

Chemical Kinetic Models for Advanced Engine Combustion

The objectives for this project are as follows: Develop detailed chemical kinetic models for fuel components used in surrogate fuels for compression ignition (CI), homogeneous charge compression ignition (HCCI) and reactivity-controlled compression-ignition (RCCI) engines; and Combine component models into surrogate fuel models to represent real transportation fuels. Use them to model low-temperature combustion strategies in HCCI, RCCI, and CI engines that lead to low emissions and high efficiency.

30 DIRECT ENERGY CONVERSION↗

A kinetic modeling study on octane rating and fuel sensitivity under HCCI conditions

With the development of advanced compression ignition engines such as the homogeneous charge compression ignition (HCCI) and the reactivity controlled compression ignition (RCCI), the long existing research and motor octane rating for fuels, i.e., RON and MON, might be insufficient to describe the fuel reactivity and performance with these new combustion strategies due to their distinctive engine operation conditions. It is also noted that with the stringent regulation for CO2 emission, a detailed knowledge of fuel reactivity is urgently needed for the selection of novel alternative bio-fuels for transportation, and optimization of their engine performance in the future. It is therefore very important to understand the reactivity and sensitivity for general classes of fuels as a function of the operating conditions in these advanced combustion engines. In this modeling study, using validated kinetic mechanism for ignition, we have simulated the performance of different classes of fuels including hydrogen, alkanes (straight and branched), alcohols and potential bio-fuels under typical HCCI engine conditions using detailed chemical kinetics. The crank angle corresponding to 50% total heat release (CA50) is utilized as an indicator for the fuel reactivity. Iso-contours of CA50 are then plotted in the engine operating parameter coordinate, such as the intake temperature, and pressure. It is shown that CA50 value can vary significantly with different engine operating conditions, and that fuels with the same RON/MON even exhibit qualitatively different CA50 iso-contours in specific operating regimes, implying differences in the intrinsic reactivity of different classes of fuels, as well as the insufficiency of RON/MON as comprehensive metrics of fuel reactivity in advanced compression ignition (ACI) strategies. In addition, the operating regime with high and low sensitivity, as well as potential non-monotonic change in fuel reactivity, has been identified by the CA50 iso-contour map for all studied fuels.

Wu, Tong↗

DME-Propane Blends Ignition Experiments and Modeling for Heavy-Duty Mixing Controlled Compression Engines

A blend of dimethyl ether (DME) and propane (C3H8) is being studied in a shock tube at heavy-duty engine conditions at 110 bar. Due to its intrinsic combustion properties, DME/propane blend can potentially replace diesel in mixing controlled compression ignition engines. A blend of DME/propane can reduce emissions in mixing controlled compression ignition in heavy-duty engines through modifications, which require simulations using a high-fidelity chemical kinetics model that can accurately predict the chemistry of the blend. An essential aspect of testing the chemical kinetics model is doing baseline fundamental chemistry studies on neat DME and propane, which include ignition delay time measurements. In this work, using a high-pressure shock tube, ignition delay times were gathered for DME/Propane blends at 110 bar diluted with AR to test chemical kinetic models published in the literature. These models include Aramco 3.0, NUIG V1.1, C3mech V3.3, and Dames et al. Comparisons with the experimental IDTs and models were conducted, and general agreement was observed. A sensitivity analysis was conducted, and important reactions were outlined.

Mohammed, Zuhayr Pasha [University of Central Flor↗

Octane Index Applicability over the Pressure-Temperature Domain

Modern boosted spark-ignition (SI) engines and emerging advanced compression ignition (ACI) engines operate under conditions that deviate substantially from the conditions of conventional autoignition metrics, namely the research and motor octane numbers (RON and MON). The octane index (OI) is an emerging autoignition metric based on RON and MON which was developed to better describe fuel knock resistance over a broader range of engine conditions. Prior research at Oak Ridge National Laboratory (ORNL) identified that OI performs reasonably well under stoichiometric boosted conditions, but inconsistencies exist in the ability of OI to predict autoignition behavior under ACI strategies. Instead, the autoignition behavior under ACI operation was found to correlate more closely to fuel composition, suggesting fuel chemistry differences that are insensitive to the conditions of the RON and MON tests may become the dominant factor under these high efficiency operating conditions. This investigation builds on earlier work to study autoignition behavior over six pressure-temperature (PT) trajectories that correspond to a wide range of operating conditions, including boosted SI operation, partial fuel stratification (PFS), and spark-assisted compression ignition (SACI). A total of 12 different fuels were investigated, including the Co-Optima core fuels and five fuels that represent refinery-relevant blending streams. It was found that, for the ACI operating modes investigated here, the low temperature reactions dominate reactivity, similar to boosted SI operating conditions because their PT trajectories lay close to the RON trajectory. Additionally, the OI metric was found to adequately predict autoignition resistance over the PT domain, for the ACI conditions investigated here, and for fuels from different chemical families. This finding is in contrast with the prior study using a different type of ACI operation with different thermodynamic conditions, specifically a significantly higher temperature at the start of compression, illustrating that fuel response depends highly on the ACI strategy being used.

02 PETROLEUM↗

Leveraging microbial biosynthetic pathways for the generation of ‘drop-in’ biofuels

Advances in retooling microorganisms have enabled bioproduction of ‘drop-in’ biofuels, fuels that are compatible with existing spark-ignition, compression-ignition, and gasturbine engines. As the majority of petroleum consumption in the United States consists of gasoline (47%), diesel fuel and heating oil (21%), and jet fuel (8%), ‘drop-in’ biofuels that replace these petrochemical sources are particularly attractive. In this review, we discuss the application of aldehyde decarbonylases to produce gasoline substitutes from fatty acid products, a recently crystallized reductase that could hydrogenate jet fuel precursors from terpene synthases, and the exquisite control of polyketide synthases to produce biofuels with desired physical properties (e.g., lower freezing points). With our increased understanding of biosynthetic logic of metabolic pathways, we discuss the unique advantages of fatty acid, terpene, and polyketide synthases for the production of bio-based gasoline, diesel and jet fuel.

09 BIOMASS FUELS↗

Global Sensitivity Analysis with Small Sample Sizes: Ordinary Least Squares Approach

A new version of global sensitivity analysis is developed in this paper. This new version coupled with tools from statistics, machine learning, and optimization can devise small sample sizes that allow for the accurate ordering of sensitivity coefficients for the first 10-30 most sensitive chemical reactions in complex chemical-kinetic mechanisms, and is particularly useful for studying the chemistry in realistic devices. A key part of the paper is calibration of these small samples. Because these small sample sizes are developed for use in realistic combustion devices, the calibration is done over the ranges of conditions in such devices, with a test case being the operating conditions of a compression ignition engine studied earlier. Compression ignition engines operate under low-temperature combustion conditions with quite complicated chemistry making this calibration difficult, leading to the possibility of false positives and false negatives in the ordering of the reactions. So an important aspect of the paper is showing how to handle the trade-off between false positives and false negatives using ideas from the multiobjective optimization literature. The combination of the new global sensitivity method and the calibration are sample sizes a factor of approximately 10 times smaller than were available with our previous algorithm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trigger Detection for Adaptive Scientific Workflows Using Percentile Sampling

The increasing complexity of both scientific simulations and high-performance computing system architectures are driving the need for adaptive workflows, in which the composition and execution of computational and data manipulation steps dynamically depend on the evolutionary state of the simulation itself. Consider, for example, the frequency of data storage. Critical phases of the simulation should be captured with high frequency and with high fidelity for postanalysis; however, we cannot afford to retain the same frequency for the full simulation due to the high cost of data movement. We can instead look for triggers, indicators that the simulation will be entering a critical phase, and adapt the workflow accordingly. In this paper, we present a methodology for detecting triggers and demonstrate its use in the context of direct numerical simulations of turbulent combustion using S3D. We show that chemical explosive mode analysis (CEMA) can be used to devise a noise-tolerant indicator for rapid increase in heat release. However, exhaustive computation of CEMA values dominates the total simulation, and thus is prohibitively expensive. To overcome this computational bottleneck, we propose a quantile sampling approach. Our sampling-based algorithm comes with provable error/confidence bounds, as a function of the number of samples. Most importantly, the number of samples is independent of the problem size, and thus our proposed sampling algorithm offers perfect scalability. Our experiments on homogeneous charge compression ignition and reactivity controlled compression ignition simulations show that the proposed method can detect rapid increases in heat release, and its computational overhead is negligible. Our results will be used to make dynamic workflow decisions regarding data storage and mesh resolution in future combustion simulations.

97 MATHEMATICS AND COMPUTING↗

Comprehensive Cradle to Grave Life Cycle Analysis of On-Road Vehicles in the United States based on GREET

To properly compare and contrast the environmental performance of one vehicle technology against another, it is necessary to consider their production, operation, and end-of-life fates. Since 1995, Argonne’s GREET® life cycle analysis model (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) has been annually updated to model and refine the latest developments in fuels and materials production, as well as vehicle operational and composition characteristics. Updated cradle-to-grave life cycle analysis results from the model’s latest release are described for a wide variety of fuel and powertrain options for U.S. light-duty and medium/heavy-duty vehicles. Light-duty vehicles include a passenger car, sports utility vehicle (SUV), and pick-up truck, while medium/heavy-duty vehicles include a Class 6 pickup-and-delivery truck, Class 8 day-cab (regional) truck, and Class 8 sleeper-cab (long-haul) truck. Powertrain coverage includes internal combustion (spark ignition and compression ignition) engines, hybrid electric, plug-in hybrid, full battery electric, and fuel cell vehicles powered by conventional and low carbon energy sources. The results offer insights into the current state of these technologies, as well as a projection of the likely environmental implications of future fuel and vehicle advancements through a time-series evaluation of life cycle greenhouse gas emissions.

Kelly, Jarod C.↗

Evaluation of heat engine for hybrid vehicle application

The status of ongoing heat-engine developments, including spark-ignition, compression-ignition, internal-combustion, and external-combustion engines is presented. The potential of engine concepts under consideration for hybrid vehicle use is evaluated, using self-imposed criteria for selection. The deficiencies of the engines currently being evaluated in hybrid vehicles are discussed. Focus is on recent research with two-stroke, rotary, and free-piston engines. It is concluded that these engine concepts have the most promising potential for future application in hybrid vehicles. Recommendations are made for analysis and experimentation to evaluate stop-start and transient emission behavior of recommended engine concepts.

Schneider, H. W.↗

Combustion engine system

A flow through catalytic reactor which selectively catalytically decomposes methanol into a soot free hydrogen rich product gas utilizing engine exhaust at temperatures of 200 to 650 C to provide the heat for vaporizing and decomposing the methanol is described. The reactor is combined with either a spark ignited or compression ignited internal combustion engine or a gas turbine to provide a combustion engine system. The system may be fueled entirely by the hydrogen rich gas produced in the methanol decomposition reactor or the system may be operated on mixed fuels for transient power gain and for cold start of the engine system. The reactor includes a decomposition zone formed by a plurality of elongated cylinders which contain a body of vapor permeable, methanol decomposition catalyst preferably a shift catalyst such as copper-zinc.

Houseman, John↗