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DOE OSTI2020

Pressure-temperature effects on knock with iso-octane and propane at various compression ratios and intake temperatures

Knock remains one of the main limitations for increased internal combustion engine efficiency. Recent trends in light-duty vehicles towards downsized, boosted engines increases the need for improving the understanding between fuel chemistry and thermodynamic effects contributing to knock. Previous studies have shown the importance of end-gas thermodynamic conditions on knock onset and behavior, with relationships to fuel chemistry illustrated. However, a complete understanding of how fuels allow access to higher engine loads and the governing physics behind end-gas knock under a wide range of thermodynamic conditions is still unclear. Experiments in this work improve this understanding with the use of three fuels (1) iso-octane, a low octane sensitivity (OS) fuel (2) a Co-Optima aromatic core fuel, which has similar research octane number (RON) yet significantly higher OS, and (3) propane, known for its knock resistance. Engine load sweeps are conducted with each fuel while maintaining a CA50 of 8 crank angle degrees after top dead center (°CA aTDCf). As load increases and knock onset is observed, spark is delayed to its knock limited spark advance (KLSA) allowing further increases in load until either one of two limits is reached; (1) CA50 retard limit (2) Peak cylinder pressure limit. Experiments are conducted at 40°C and 90°C intake temperature and at two distinct compression ratios (rc) 9.2:1 and 13.6:1. Two-zone zero-dimensional simulations were performed in Chemkin to extract end-gas pressure and temperature conditions through the combustion process for each experimental condition of interest. CA50 response as a function of engine load is compared for all experimental conditions and fuels, and a pressure-temperature (PT) trajectory analysis is conducted using constant volume ignition delay contours to explain the behavior of each fuel.

Dal Forno Chuahy, Flavio↗

DOE OSTI2022

Simulations of Low Mach Number Reactive Flows Coupled with Electric Fields

Applying electric fields to flames can provide an effective, non-invasive control of the combustion process. In this work, an algorithm recently introduced to handle the interactions between reactive flows and an electric field is extended to handle multiple dimensions and adaptive mesh refinement (AMR), and applied to a series of laminar flames. Experimental data allows to validate the ability of the algorithm to capture the mechanisms driving the flame response to electric fields.

electric fields↗

DOE OSTI2022

Simulations of Low Mach Number Reactive Flows Coupled with Electric Fields: Preprint

electric field↗

DOE OSTI2022

Industrial Load Flexibility, the U.S. Power Grid and Ammonia

A variable renewable power grid is a new technological regime that involves real time harvesting and low-cost availability of energy resources coupled with storage to meet additional needs. Decarbonization through electrification of end uses formerly met by combustion processes will be a concurrent trend. Taken together, these two changes may make flexibility on the demand side more valuable to the grid and to industrial users. Industry accounted for 26% of US power demand in 2021. Traditionally, industrial processes for producing ammonia and other basic materials have been optimized for a system based on fossil resources, where energy can be called upon according to needs. Large capital expenditures as well as safety considerations have favored plants running at steady state at close to their maximum capacity. It is possible, however, that the renewable energy transition will offer opportunities to sectors that can operate in a more flexible manner. Innovations that make use of flexibility to enhance their business model to move forward, individuals and groups active in their development, use and regulation, together with institutions and infrastructures, can be considered as a technological innovation system (TIS). Beyond economic and technical factors on their own, the TIS is an important analysis framework for studying the development and diffusion of technologies. This work attempts to map the TIS of flexible industrial loads and their interaction with electric power in the US, with a particular focus on ammonia as a case study. We have conducted interviews with stakeholders involved in ammonia projects, working in system operators, trade groups, regulators and utilities. We assess to what extent a technological innovation system is functioning and document characteristics that allow industries to operate flexibly.

ammonia↗

DOE OSTI2025

Approach for High Methanol Substitution by Energy with Conventional and Bio Pilot Fuels

Green methanol is emerging as a promising route to decarbonize the commercial marine industry. However, methanol is not a drop-in fuel in the compression ignition engines that dominate the marine industry because it is difficult to ignite due to its low cetane number and high latent heat of vaporization. The most straight-forward way to use methanol in the compression ignition engines is to premix the methanol, such as with port fuel injection during the intake stroke, and igniting the methanol with a diesel pilot injection. Because diesel fuel is still used in this strategy, it does not fully displace the petroleum diesel fuel. To completely displace the petroleum-derived diesel fuel, this investigation presents experimental results comparing diesel and biodiesel pilot ignition in a dual-fuel strategy with methanol in a marine-variant of a Cat® C18 18 L engine with a 145 mm bore. Engine performance and emissions characteristics are presented that include effects of diesel vs. biodiesel across a series of fuel injection timing and other operating parameters, including intake manifold pressure and engine load. Results presented include in-cylinder pressure and combustion-related findings about heat release, methanol fuel energy substitution rates greater than 75% from 1 to 18 bar BMEP on a single cylinder engine at 1800 RPM. Criteria pollutants including particulate matter, NOx (NO and NO2), unburned fuel, and formaldehyde, as well as the overall BSFC and FSN of the combustion process relative to the baseline diesel operation.

Splitter, Derek [ORNL] (ORCID:0000000174044047)↗

DOE OSTI2025

FLEX-FUEL MIXING CONTROLLED COMBUSTION ENABLED BY PRECHAMBER IGNITION

There is an imminent need to displace fossil diesel fuel with cleaner burning, domestically produced, renewable fuels for use in heavy-duty engines. Bioethanol is a prime candidate as it widely adopted in the U.S. as a gasoline additive ranging in volume percentage from 10% (E10) up to 85% (E85). Direct substitution of market available ethanol-gasoline blends for diesel fuel is not plausible as the stark reactivity differences would not constitute the same ignition quality nor achieve auto-ignition at all. This work focuses on the development of prechamber enabled mixing-controlled combustion (PC-MCC) as an advanced combustion strategy to facilitate reliable ignition and diffusion style combustion ethanol-gasoline fuel blends. PC-MCC involves integration of an actively fueled prechamber (PC) into a conventional compression ignition combustion system. When ignited, the PC ejects hot turbulent jets into the main combustion chamber that then interact with the direct injected fuel, prompting immediate ignition. The PC jet flames provide a robust thermal ignition source that allows the engine to operate agnostic of fuel composition, or flex-fuel. Computational fluid dynamics (CFD) modeling was used to assess critical design features of the PC while garnering insights into the ignition strategies that facilitate robust performance. A key finding was the ignition performance benefits of fuel-rich PC operation which yield exothermic jets. Based on the numerical findings, a prototype igniter was tested experimentally on both single and multi-cylinder engine platforms at a variety of operating conditions. The experimental results indicate flex-fuel PC-MCC is well capable of diesel-like combustion processes by demonstrating matched or improved gross thermal efficiencies and load variability within 2%. Fuel grade ethanol (E98) exhibited consistently lower NOx and immeasurable soot across the load space. E98 also demonstrated a significant improvement in thermal efficiency at light loads.

Zeman, Jared↗

DOE OSTI2020

Effect of Power Plant Capacity on the CAPEX, OPEX, and LCOC of the CO2 Capture Process in Pre-Combustion Applications - Abstract

Aspen Plus v8.8 was used to simulate the pre-combustion CO2 capture process from a typical fuel gas stream at different power plant capacities ranging from 54.3 to 543 MW. Polyethylene glycol polydimethyl siloxane (PEGPDMS-1) was used as a physical solvent to capture CO2 in a countercurrent packed-bed absorber containing a structured packing (Mellapak 250Y). The process pressure was 51.4 bar and the solvent temperature was varied from 10 to 40 oC. The internal diameter of the absorber ranged from 1.9 to 7 m and the packing height from 13.9 to 45.5 m. The physico-chemical properties were obtained and modeled using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) Equation-of-State (EOS). Four process constraints were imposed in Aspen Plus: (1) no flooding in the absorber, (2) the absorber height to diameter ratio (H/D) is greater than or equal 6, (3) at least 90 mol% of the CO2 capture from the fuel gas stream, and (4) the CO2 stream destined to sequestration sites should contain less than 600 ppm water concentration and less than or equal 0.5 mol% of fuel gases (H2, CO, CH4). The plant lifetime was assumed to be 30 years with an annual discount rate of 10% and an annual maintenance cost of 4% of the total capital expenses. Seven power plants with different capacities were used and for each plant, the corresponding CO2 capture process was simulated. The absorber flooding was checked using the generalized pressure drop correlation (GPDC) by Leva [1] and the capital expenditure (CAPEX), operating expenditure (OPEX), and levelized costs per ton of CO2 captured (LCOC) were calculated [2-5]. Normalized by the largest power plant capacity (543 MW) used in the simulation, the results indicated that the capital and operating expenditures increased, however, the LCOC decreased with increasing plant capacity. This behavior was due to the increased annual tonnage of the CO2 captured with plant capacity as shown in Figure 1. The calculated CAPEX, OPEX, LCOC and the tonnage of CO2 captured for the 543 MW power plant were about 52 MM$, 22 MM$/year, 7.46 $/ton and 4 MM ton/year.

Ashkanani, Husain↗

DOE OSTI2022

Integrated Water-Gas-Shift Pre-combustion Carbon Capture Process

TDA Research, Inc (TDA) has developed a highly efficient integrated WGS pre-combustion carbon capture technology and demonstrated its techno-economic viability for use in the Integrated Gasification Combined Cycle (IGCC) power plants that process coal. The new system uses a warm gas CO 2 scrubber integrated with a Water-Gas-Shift (WGS) catalyst to capture greater than 90% of the carbon emissions, which does not increase the cost of electricity (COE) as much as conventional carbon capture technologies.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

Chapter 11: Biochar Production

In production of biochar, thermochemical processes that can be used to treat biomass include pyrolysis, gasification, hydrothermal processing, and combustion. Each of these processes is defined by specific operating conditions (e.g., temperature, presence of oxygen) and feedstock requirements for optimal conversion to the product of primary interest. Each process results in varying fractions of gaseous, liquid, and solid products. Though other publications have emphasized the gaseous bio-energy products of such processes (e.g., bio-oil, synthesis gas or "syngas") with biochar as a co-product, in this discussion, we focus primarily on biochar as the In production of biochar, thermochemical processes that can be used to treat biomass include pyrolysis, gasification, hydrothermal processing, and combustion. Each of these processes is defined by specific operating conditions (e.g., temperature, presence of oxygen) and feedstock requirements for optimal conversion to the product of primary interest. Each process results in varying fractions of gaseous, liquid, and solid products. Though other publications have emphasized the gaseous bio-energy products of such processes (e.g., bio-oil, synthesis gas or "syngas") with biochar as a co-product, in this discussion, we focus primarily on biochar as the main product, with heat and electrical energy as co-products of secondary interest. The reasons for this are as follows: when producing biochar, heat is the simplest form of energy to capture and utilize, electrical energy can be generated from heat energy with a wide range of available technologies small and large; rather than immediately combusting the gases released from biomass, there is potential to refine the gases into bio-oil and syngas. However, much larger investments of capital are needed to build facilities for which gaseous fuel production is the primary goal, as compared to those focused on biochar production with heat and electrical energy co-products. While the economic viability of biochar production will be improved by production of high-value co-products (e.g., wood acids for use in pesticides), the simplest production scheme is one in which biochar and heat are the primary products. Here we aim to provide a broader overview of thermochemical processes and technologies most relevant to biochar production in its current state of commercialization. All biochar is a result of pyrolysis (the reaction) but not all biochar is made with a dedicated pyrolysis reactor (the technology type). Further, all biochar is the result of a lack of complete combustion (the reaction), even biochar produced in a combustion or gasification reactor (the technology type). This is an important distinction to acknowledge in the following sections in which we discuss both thermochemical conversion reactions and technology types.

biochar↗

NASA NTRS1999

Internal Heterogeneous Processes in Aluminum Combustion

This paper discusses the aluminum particle combustion mechanism which has been expanded by inclusion of gas dissolution processes and ensuing internal phase transformations. This mechanism is proposed based on recent normal and microgravity experiments with particles formed and ignited in a pulsed micro-arc. Recent experimental findings on the three stages observed in Al particle combustion in air and shows the burning particle radiation, trajectory (streak), smoke cloud shapes, and quenched particle interiors are summarized. During stage I, the radiation trace is smooth and the particle flame is spherically symmetric. The temperature measured using a three-color pyrometer is close to 3000 K. Because it exceeds the aluminum boiling point (2730 K), this temperature most likely characterizes the vapor phase flame zone rather than the aluminum surface. The dissolved oxygen content within particles quenched during stage I was below the detection sensitivity (about 1 atomic %) for Wavelength Dispersive Spectroscopy (WDS). After an increase in the radiation intensity (and simultaneous decrease in the measured color temperature from about 3000 to 2800 K) indicative of the transition to stage II combustion, the internal compositions of the quenched particles change. Both oxygen-rich (approx. 10 atomic %) and oxygen-lean (< 1 %) regions are identified within the particles using back-scattered electron imaging and WDS. During stage II, oscillations are observed in particle radiation and the flame and smoke cloud are distorted from their original spherically-symmetric shape. In stage III, particle radiation continues to exhibit oscillations, but its radiation intensity drops and remains at a nearly constant level. The measured temperature decreases to about 2300 K. Also, larger changes in particle velocities are observed, and oxide caps are found on quenched particle surfaces. While these results showed the correlation between the aluminum particle combustion behavior and the evolution of its internal composition, the change from the spherically symmetric to asymmetric flame shape occurring upon the transition from stage I to stage II combustion could not be understood based only on the fact that dissolved oxygen is detected in the particles. The connection between the two phenomena appeared even less significant because in earlier aluminum combustion studies carried in O2/Ar mixtures, flame asymmetry was not observed as opposed to experiments in air or O2/CO mixtures. It has been proposed that the presence of other gases, i.e., hydrogen, or nitrogen causes the change in the combustion regime.

Dreizin, E. L.↗

NASA NTRS2012

Burning Questions in Gravity-Dependent Combustion Science

Building upon a long history of spaceflight and ground based research, NASA's Combustion Science program has accumulated a significant body of accomplishments on the ISS. Historically, NASAs low-gravity combustion research program has sought: to provide a more complete understanding of the fundamental controlling processes in combustion by identifying simpler one-dimensional systems to eliminate the complex interactions between the buoyant flow and the energy feedback to the reaction zone to provide realistic simulation of the fire risk in manned spacecraft and to enable practical simulation of the gravitational environment experienced by reacting systems in future spacecraft. Over the past two decades, low-gravity combustion research has focused primarily on increasing our understanding of fundamental combustion processes (e.g. droplet combustion, soot, flame spread, smoldering, and gas-jet flames). This research program was highly successful and was aided by synergistic programs in Europe and in Japan. Overall improvements were made in our ability to model droplet combustion in spray combustors (e.g. jet engines), predict flame spread, predict soot production, and detect and prevent spacecraft fires. These results provided a unique dataset that supports both an active research discipline and also spacecraft fire safety for current and future spacecraft. These experiments have been conducted using the Combustion Integrated Rack (CIR), the Microgravity Science Glovebox and the Express Rack. In this paper, we provide an overview of the earlier space shuttle experiments, the recent ISS combustion experiments in addition to the studies planned for the future. Experiments in combustion include topics such as droplet combustion, gaseous diffusion flames, solid fuels, premixed flame studies, fire safety, and super critical oxidation processes.

Urban, David↗

NASA NTRS2020

Miniaturized Laser Absorption Spectrometer for Combustion Calorimetry and Process Monitoring

A miniaturized tunable laser absorption spectrometer capable of measuring gas-phase concentrations of CO, CO2, and O2 has been developed for operation in spacecraft environments. As part of the Spacecraft Fire Safety Demonstration (Saffire) project, we previously demonstrated the Combustion Product Monitor (CPM) instrument to characterize pyrolysis of relevant test materials in low gravity aboard a transfer vehicle returning from low Earth orbit. Here, we adapted the CPM instrument design to achieve detection of CO, CO2, and O2 with improved minimum detection limits and dynamic range as well as reduced instrument size and power. The instrument can be operated in either an open or sealed configureation, allowing for ambient gas composition measuremnts or in-line monitoring of gas streams. By accurately monitoring CO, CO2, and O2 with broad pressure/temperature calibration and response time on the order of 1 s, the instrument can be used to characterize the dynamics of combustion reactions in a variety of environments.

Briggs, Ryan M.↗

DOE OSTI2025

Climate, air quality, and equity benefits from hydrogen substitution for fossil fuels used in process heat

Fossil fuel combustion for process heat in heavy industry accounts for ~15% of all United States CO 2 emissions and emits PM 2.5 and its precursors, emissions that have a disproportionate impact on minority populations. Decarbonizing process heat in the U.S. via hydrogen substitution presents an opportunity to reduce emissions of CO 2 and PM 2.5 and mitigate resulting exposure disparity. Here, we show that hydrogen substitution in steelmaking provides a large reduction in CO 2 emissions and air quality-related premature mortality, while hydrogen substitution in petroleum refining substantially benefits disadvantaged communities. When reductions in CO 2 emissions and premature mortality are monetized using standard regulatory values, we find that the sum of air pollution and climate benefits outweighs the difference in private cost associated with hydrogen substitution in steelmaking, regardless of the method of hydrogen production. The approach developed here can support evaluations of equity-focused decarbonization strategies in other industries and for specific sites.

08 HYDROGEN↗

NASA NTRS2000

Test Medium Effects on Ignition, Combustion and Flameholding Processes in Scramjet Combustors

The total temperatures (enthalpies) required to ground-test air-breathing (aero-propulsion) engines at high Mach number flight conditions can be achieved in a number of ways. Among these are: 1. Heat exchangers, including pre-heated ceramic beds. 2. direct electrical heating, e.g., arc discharge and resistance heaters. 3. Compression heating. 4. Shock heating, and 5. In-stream combustion, with oxygen replenishment to match air content. Each method has distinct advantages, disadvantages and limitations. All have a common characteristic of being designed for intermittent flow, due to the extreme energy required for continuous operation at simulated Mach numbers above about 3. All also distort the composition of atmospheric air to some degree, due to the high temperatures that occur in the plenum section prior to expansion of the flow to simulated flight conditions. In the case of in-stream combustion, the resulting test medium is commonly referred to as "vitiated air", being composed of oxygen, nitrogen and some fraction of combustion products.

Chinitz, W.↗

NASA NTRS2000

Combustion Chamber/Nozzle Assembly and Fabrication Process Therefor

An integral lightweight combustion chamber/nozzle assembly for a rocket engine has a refractory metal shell defining a chamber of generally frusto-conical contour. The shell communicates at its larger end with a rocket body, and terminates at its smaller end in a tube of generally cylindrical contour, which is open at its terminus and which serves as a nozzle for the rocket engine. The entire inner surface of the refractory metal shell has a thermal and oxidation barrier layer applied thereto. An ablative silica phenolic insert is bonded to the exposed surface of the thermal and oxidation barrier layer. The ablative phenolic insert provides a chosen inner contour for the combustion chamber and has a taper toward the open terminus of the nozzle. A process for fabricating the integral, lightweight combustion chamber/nozzle assembly is simple and efficient, and results in economy in respect of both resources and time.

Myers, W. Neill↗

NASA NTRS1994

Numerical Simulations of High-Speed Chemically Reacting Flow

The Essentially NonOscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

NASA NTRS1994

Numerical Simulations of High-Speed Chemically Reacting Flow

The essentially nonoscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

DOE OSTI2021

A systematic comparison of machine learning methods for modeling of dynamic processes applied to combustion emission rate modeling

Ten established, data-driven dynamic algorithms are surveyed and a practical guide for understanding these methods generated. Existing Python programming packages for implementing each algorithm are acknowledged, and the model equations necessary for prediction are presented. A case study on a coal-fired power plant’s NO x emission rates is performed, directly comparing each modeling method’s performance on a mutual system. Each model is evaluated by its root mean squared error (RMSE) on out-of-sample future horizon predictions. Optimal hyperparameters are identified using either an exhaustive search or genetic algorithm. The top five model structures of each method are used to recursively predict future NO x emission rates over a 60-step time horizon. The RMSE at each future timestep is determined, and the recursive output prediction trends compared against measurements in time. The GRU neural network is identified as the best candidate for representing the system, demonstrating accurate and stable predictions across the future horizon by all considered models, while satisfactory performance was observed in several of the ARX/NARX formulations. Finally, these efforts have contributed 1) a concise resource of multiple proven dynamic machine learning methods, 2) a practical guide explaining the use of these methods, effectively lowering the “barrier-to-entry” of deploying such models in control systems, 3) a comparison study evaluating each method’s performance on a mutual system, 4) demonstration of accurate multi-timestep emissions modeling suitable for systems-level control, and 5) generalizable results demonstrating the suitability of each method for prediction over a multi-step future horizon to other complex dynamic systems.

42 ENGINEERING↗