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Low-Carbon Fuel Combustion from Fundamentals to Applications

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A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "I2: Energy and Combustion Science".

Deadline for manuscript submissions: closed (10 October 2023) | Viewed by 10894

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Special Issue Editors

Dr. Binod Giri

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Guest Editor

Clean Combustion Research Center, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
Interests: gas phase kinetics; combustion kinetic modeling; laser diagnostics in combustion; ab initio calculations; computational kinetics; fluid properties

Dr. Krishna Shrestha

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Guest Editor

Thermodynamics and Thermal Process Engineering, Brandenburg University of Technology Cottbus–Senftenberg, Siemens-Halske-Ring 8, 03046 Cottbus, Germany
Interests: chemical kinetics; combustion kinetic modeling; thermodynamics; thermal process engineering; emissions; ammonia; fuels

Special Issue Information

Dear Colleagues,

Mitigating climate change is a global challenge for the present day. The main culprit is the CO₂ released from burning conventional fuels. Internal combustion engines (ICEs) alone contribute to ~10% of global CO₂ emissions. It appears that ICEs will continue to power transportation sectors for some years to come, if not decades. Therefore, the strategy for curbing environmental pollution and greenhouse gas emission remains a complex task. One of the ways to reduce carbon footprint is to increase engine efficiency and use carbon-neutral and/or zero-carbon fuels. Improving the combustion technology, e.g., by developing new engine-fuel technology, can help mitigate harmful impacts from the transportation sectors. ICEs can be operated at low temperatures and high pressures to achieve high efficiency and low levels of harmful emissions. Synthetic fuels, biofuels, and other new-generation fuels (e.g., nitrogen-based fuels) can help achieve carbon neutrality. For future sustainability, fundamental studies targeting new fuel-engine optimization are required. At present, the combustion community is working hard, focusing on new fuel-engine technologies for the welfare of today’s human civilization. Recently, there has been considerable interest in utilizing low-carbon and/or zero-carbon fuels for future advanced engines. These fuels, e.g., polyoxymethylene dimethyl ethers, ammonia, hydrogen, syngas, methanol, ethanol, cyclopentanone, etc., can be produced from bio-sources or renewable energy sources. Low-carbon and zero-carbon fuels can significantly improve air quality compared to conventional fuels. This Special Issue aims to provide an overview of recent progress and an advancement in understanding new fuel technology using low-carbon and zero-carbon fuels. This Special Issue will target articles relevant to the experimental and theoretical work, from fundamentals to applications pertinent to the field of combustion.

Dr. Binod Giri
Dr. Krishna Shrestha
Guest Editors

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Keywords

biofuels combustion
low-carbon or zero-carbon fuels combustion
ammonia combustion
hydrogen combustion
CO₂ capture and utilization
combustion diagnostics
combustion modeling
gas phase chemical kinetics
oxidation and pyrolysis of low-carbon fuels
thermochemistry
computational kinetics
kinetic modeling

Published Papers (7 papers)

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Research

13 pages, 3141 KiB

Open AccessArticle

Experimental Study on Macroscopic Spray and Fuel Film Characteristics of E40 in a Constant Volume Chamber

by Huayu Tian, Jun Wang, Ran Zhang, Yulin Zhang, Yan Su, Hao Yu and Bo Shen

Energies 2023, 16(22), 7488; https://doi.org/10.3390/en16227488 - 8 Nov 2023

Viewed by 557

Abstract

In the modern industrial field, there is a strong emphasis on energy-saving and emission reduction. Increasing the amount of ethanol in ethanol–gasoline blends has the potential to replace fossil fuel gasoline more effectively, improving energy efficiency and lowering emissions. The interaction between liquid fuel film generation on the piston crown and spray impingement in the combustion chamber in the setting of GDI engines has a substantial impact on particle emissions and engine combustion. In this study, 92# gasoline and ethanol by volume are combined to create the ethanol–gasoline blend E40. The spray characteristics and film properties of both gasoline and the intermediate proportion ethanol–gasoline blend E40 were researched utilizing a constant volume combustion platform and the schlieren method and refractive index matching (RIM) approach. The results show that, for 0.1–25 operating conditions, gasoline consistently displays greater macroscopic spray characteristic parameters than E40. This shows that gasoline fuel spray evaporation is superior to E40. Similar results are seen in the analysis of wall-attached fuel films, where the volume and thickness of the gasoline film are less than those of the E40 film under the given operating conditions. In contrast, E40 consistently exhibits stronger macroscopic spray characteristic values than gasoline under the 0.1–150 and 0.4–150 operating conditions, along with lower film thickness and volume. As a result, under these two operating conditions, E40 fuel performs better during spray evaporation. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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19 pages, 3799 KiB

Open AccessArticle

A Theoretical Study of NH₂ Radical Reactions with Propane and Its Kinetic Implications in NH₃-Propane Blends’ Oxidation

by Binod Raj Giri, Krishna Prasad Shrestha, Tam V.-T. Mai, Sushant Giri, Mohammad Adil, R. Thirumaleswara Naik, Fabian Mauss and Lam Kim Huynh

Energies 2023, 16(16), 5943; https://doi.org/10.3390/en16165943 - 11 Aug 2023

Cited by 1 | Viewed by 1226

Abstract

The reaction of NH₂ radicals with C₃H₈ is crucial for understanding the combustion behavior of NH₃/C₃H₈ blends. In this study, we investigated the temperature dependence of the rate coefficients for the hydrogen abstraction reactions of C₃H₈ by NH₂ radicals using high-level theoretical approaches. The potential energy surface was constructed at the CCSD(T)/cc-pV(T, Q)//M06-2X/aug-cc-pVTZ level of theory, and the rate coefficients were computed using conventional transition state theory, incorporating the corrections for quantum tunneling and hindered internal rotors (HIR). The computed rate coefficients showed a strong curvature in the Arrhenius behavior, capturing the experimental literature data well at low temperatures. However, at T > 1500 K, the theory severely overpredicted the experimental data. The available theoretical studies did not align with the experiment at high temperatures, and the possible reasons for this discrepancy are discussed. At 300 K, the reaction of NH₂ with C₃H₈ predominantly occurs at the secondary C-H site, which accounts for approximately 95% of the total reaction flux. However, the hydrogen abstraction reaction at the primary C-H site becomes the dominant reaction above 1700 K. A composite kinetic model was built, which incorporated the computed rate coefficients for NH₂ + C₃H₈ reactions. The importance of NH₂ + C₃H₈ reactions in predicting the combustion behavior of NH₃/C₃H₈ blends was demonstrated by kinetic modeling. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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25 pages, 6381 KiB

Open AccessArticle

An Ab Initio RRKM-Based Master Equation Study for Kinetics of OH-Initiated Oxidation of 2-Methyltetrahydrofuran and Its Implications in Kinetic Modeling

by Tam V.-T. Mai, Thanh Q. Bui, Nguyen Thi Ai Nhung, Phan Tu Quy, Krishna Prasad Shrestha, Fabian Mauss, Binod Raj Giri and Lam K. Huynh

Energies 2023, 16(9), 3730; https://doi.org/10.3390/en16093730 - 27 Apr 2023

Cited by 2 | Viewed by 1966

Abstract

Cyclic ethers (CEs) can be promising future biofuel candidates. Most CEs possess physico-chemical and combustion indicators comparable to conventional fuels, making them suitable for internal combustion engines. This work computationally investigates the kinetic behaviors of hydrogen abstraction from 2-methyl tetrahydrofuran (2MTHF), one of the promising CEs, by hydroxyl radicals under combustion and atmospheric relevant conditions. The various reaction pathways were explored using the CCSD(T)/cc-pVTZ//M06-2X/aug-cc-pVTZ level of theory. The Rice–Ramsperger–Kassel–Marcus-based master equation (RRKM-ME) rate model, including treatments for hindered internal rotation and tunneling, was employed to describe time-dependent species profiles and pressure and temperature-dependent rate coefficients. Our kinetic model revealed that the H-abstraction proceeds via an addition-elimination mechanism forming reaction complexes at both the entrance and exit channels. Eight different reaction channels yielding five radical products were located. The reaction exhibited complex kinetics yielding a U-shaped Arrhenius behavior. An unusual occurrence of negative temperature dependence was observed at low temperatures, owing to the negative barrier height for the hydrogen abstraction reaction from the C-H bond at the vicinity of the O-atom. A shift in the reaction mechanism was observed with the dominance of the abstraction at C_α-H of 2MTHF ring (causing negative-T dependence) and at CH₃ (positive-T dependence) at low and high temperatures, respectively. Interestingly, the pressure effect was observed at low temperatures, revealing the kinetic significance of the pre-reaction complex. Under atmospheric pressure, our theoretical rate coefficients showed excellent agreement with the available literature data. Our model nicely captured the negative temperature-dependent behaviors at low temperatures. Our predicted global rate coefficients can be expressed as k (T, 760 Torr) = 3.55 × 10¹ × T^−4.72 × exp [−340.0 K/T] + 8.21 × 10⁻²³ × T^3.49 × exp [918.8 K/T] (cm³/molecule/s). Our work provides a detailed kinetic picture of the OH-initiated oxidation kinetics of 2MTHF. Hence, this information is useful for building a kinetic me chanism for methylated cyclic ethers. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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17 pages, 731 KiB

Open AccessArticle

Numerical and Experimental Investigations of CH₄/H₂ Mixtures: Ignition Delay Times, Laminar Burning Velocity and Extinction Limits

by Simon Drost, Sven Eckart, Chunkan Yu, Robert Schießl, Hartmut Krause and Ulrich Maas

Energies 2023, 16(6), 2621; https://doi.org/10.3390/en16062621 - 10 Mar 2023

Cited by 6 | Viewed by 1611

Abstract

In this work, the influence of H₂ addition on the auto-ignition and combustion properties of CH₄ is investigated experimentally and numerically. Experimental ignition delay times (IDT) are compared with simulations and laminar burning velocities (LBVs), and extinction limits/extinction strain rates (ESRs) are compared with data from the literature. A wide variety of literature data are collected and reviewed, and experimental data points are extracted for IDT, LBV and ESR. The results are used for the validation of existing reaction mechanisms. The reaction mechanisms and models used are able to reproduce the influence of H₂ addition to CH₄ (e.g., shortening IDTs, increasing ESRs and increasing LBVs). IDTs are investigated in a range from 6 to 15 bar and temperatures from 929 to 1165 K with H₂ addition from 10 to 100 mol%. We show that LBV and ESR are predicted in a wide range by the numerical simulations. Moreover, the numerical simulations using detailed Aramco Mech 3.0 (581 species) are compared with the derived reduced reaction mechanism UCB Chen (49 species). The results show that the reduced chemistry obtained by considering only the IDT is also valid for LBV and ESR. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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14 pages, 5319 KiB

Open AccessArticle

Transfer Functions of Ammonia and Partly Cracked Ammonia Swirl Flames

by Nader N. Shohdy, Mhedine Alicherif and Deanna A. Lacoste

Energies 2023, 16(3), 1323; https://doi.org/10.3390/en16031323 - 27 Jan 2023

Cited by 2 | Viewed by 1819

Abstract

The replacement of hydrocarbon fuels by ammonia in industrial systems is challenging due to its low burning velocity, its narrow flammability range, and a large production of nitric oxide and nitrogen dioxide when burned close to stoichiometric conditions. Cracking a fraction of ammonia into hydrogen and nitrogen prior to injection in the combustion chamber is considered a promising strategy to overcome these issues. This paper focuses on evaluating how different levels of ammonia cracking affect the overall burning velocity, the lean blow-off limit, the concentration of nitric oxide and nitrogen dioxide, and the flame response to acoustic perturbations. Swirl stabilized premixed flames of pure ammonia–air and ammonia–hydrogen–nitrogen–air mixtures mimicking 10%, 20%, and 28% of cracking are experimentally investigated. The results show that even though ammonia cracking is beneficial for enhancing the lean blow-off limit and the overall burning velocity, its impact on pollutant emissions and flame stability is detrimental for a percentage of cracking as low as 20%. Based on an analysis of the flame dynamics, reasons for these results are proposed. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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16 pages, 6173 KiB

Open AccessArticle

Influence of the Pilot Flame on the Morphology and Exhaust Emissions of NH₃-CH₄-Air Swirl Flames Using a Reduced-Scale Burner at Atmospheric Pressure

by Cristian D. Avila Jimenez, Santiago Cardona, Mohammed A. Juaied, Mourad Younes, Aqil Jamal, Thibault F. Guiberti and William L. Roberts

Energies 2023, 16(1), 231; https://doi.org/10.3390/en16010231 - 25 Dec 2022

Cited by 1 | Viewed by 1471

Abstract

This work presents an experimental study on the influence of the pilot flame characteristics on the flame morphology and exhaust emissions of a turbulent swirling flame. A reduced-scale burner, inspired by that fitted in the AE-T100 micro gas turbine, was employed as the experimental platform to evaluate methane (CH₄) and an ammonia-methane fuel blend with an ammonia (NH₃) volume fraction of 0.7. The power ratio (PR) between the pilot flame and the main flame and the fuel composition of the pilot flame was investigated. The pilot power ratio was varied from 0 to 20% for both fuel compositions tested. The NH₃ volume fraction in the pilot flame ranged from pure CH₄ to pure NH₃ through various NH₃–CH₄ blends. Flame images and exhaust emissions, namely CO₂, CO, NO, and N₂O were recorded. It was found that increasing the pilot power ratio produces more stable flames and influences most of the exhaust emissions measured. The CO₂ concentration in the exhaust gases was roughly constant for CH₄-air or NH₃–CH₄–air flames. In addition, a CO₂ concentration reduction of about 45% was achieved for X_NH3 = 0.70 compared with pure CH₄, while still producing stable flames as long as PR ≥ 5%. The pilot power ratio was found to have a higher relative impact on NO emissions for CH₄ than for NH₃–CH₄, with measured exhaust NO percentage increments of about 276% and 11%, respectively. The N₂O concentration was constant for all pilot power ratios for CH₄ but it decreased when the pilot power ratio increased for NH₃–CH₄. The pilot fuel composition highly affected the NO and N₂O emissions. Pure CH₄ pilot flames and higher power ratios produced higher NO emissions. Conversely, the NO concentration was roughly constant for pure NH₃ pilot flames, regardless of the pilot power ratio. Qualitative OH-PLIF images were recorded to further investigate these trends. Results showed that the pilot power ratio and the pilot fuel composition modified the flame morphology and the OH concentration, which both influence NO emissions. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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22 pages, 11001 KiB

Open AccessArticle

Effect of Hydrogen Enhancement on Natural Flame Luminosity of Tri-Fuel Combustion in an Optical Engine

by Qiang Cheng, Zeeshan Ahmad, Ossi Kaario, Ville Vuorinen and Martti Larmi

Energies 2022, 15(23), 9080; https://doi.org/10.3390/en15239080 - 30 Nov 2022

Cited by 1 | Viewed by 1289

Abstract

A novel combustion mode, namely tri-fuel (TF) combustion using a diesel pilot to ignite the premixed methane–hydrogen–air (CH₄–H₂–air) mixtures, was experimentally investigated under various H₂ fractions (0%, 10%, 20%, 40%, 60%) and ultra-lean conditions (equivalence ratio of [...] Read more.

φ =

0.5). The overarching objective is to evaluate the effect of H₂ fraction on flame characteristics and engine performance. To visualize the effect of H₂ fraction on the combustion process and flame characteristics, a high-speed color camera (Photron SA-Z) was employed for natural flame luminosity (NFL) imaging to visualize the instantaneous TF combustion process. The engine performance, flame characteristics, and flame stability are characterized based on cylinder pressure and color natural flame images. Both pressure-based and optical imaging-based analyses indicate that adding H₂ into the CH₄–air mixture can dramatically improve engine performance, such as combustion efficiency, flame speed, and flame stability. The visualization results of NFL show that the addition of H₂ promotes the high-temperature reaction, which exhibits a brighter bluish flame during the start of combustion and main combustion, however, a brighter orangish flame during the end of combustion. Since the combustion is ultra-lean, increasing the H₂ concentration in the CH₄–air mixture dramatically improves the flame propagation, which might reduce the CH₄ slip. However, higher H₂ concentration in the CH₄–air mixture might lead to a high-temperature reaction that sequentially promotes soot emissions, which emit a bright yellowish flame. Full article

(This article belongs to the Special Issue Low-Carbon Fuel Combustion from Fundamentals to Applications)

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