Soot formation and laminar combustion characteristics of anisole: ReaxFF MD simulation and kinetic analysis DOI Creative Commons

Wenlong Dong,

Run Hong,

Jinfang Yao

et al.

Carbon Neutrality, Journal Year: 2024, Volume and Issue: 3(1)

Published: Oct. 31, 2024

Abstract The application of biomass energy is one the important ways to achieve carbon neutrality and deal with global warming. study on combustion mechanism anisole, an oxygen-containing fuel, helpful for biofuel large-scale application. In this study, soot formation laminar characteristics anisole were analyzed by reactive force field molecular dynamics (ReaxFF MD) kinetic simulation, respectively. ReaxFF MD simulation studies had shown that occurred in three stages, stage 1 (0–1 ns), 2 (1–2.5 3 (2.5–6 ns). stages represented pyrolysis developmental soot, graphitization During primary mechanisms as follows: H-abstraction-C H -addition, carbon-addition-hydrogen-addition, internal ring long chain link. exhibited different morphologically behaviors: from flakes onions spheres fewer branched chains. From it can be found burning velocities increased along increase temperature, while opposite trend was pressure. sensitivity coefficient naphthalene, main precursor, revealed promotional reactions R5 (O + < = > O OH), R36 (CO OH CO H).

Language: Английский

Green Ammonia and the Sustainable Development Goals (SDGs) DOI

Mofida E. M. Makhlof,

Ahmed H. Zabady,

Nabila Shehata

et al.

Elsevier eBooks, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

Language: Английский

Citations

0

Revealing the NO Formation Kinetics for NH3/CH4 Blends Under Dual-Flame and Premixed Swirl Flame Configurations DOI Creative Commons
Siqi Wang, Cheng Tung Chong, Soroush Sheykhbaglou

et al.

Energies, Journal Year: 2024, Volume and Issue: 17(23), P. 6090 - 6090

Published: Dec. 3, 2024

Ammonia stands out as a promising zero-carbon fuel and an efficient hydrogen carrier, offering great promise for industrial applications in gas turbines boilers. However, different combustion modes significantly influence the flame structure characteristics of ammonia. In this study, two distinct injection strategies were employed model combustor: ammonia methane, under fully premixed dual-flame modes. Numerical simulations performed to analyze structure, velocity fields, temperature distribution, complemented by planar flow field, OH* chemiluminescence, NO emission measurements. Findings reveal that with increasing NH3 ratio, front becomes more elongated pronounced fluctuations at swirler exit. Particularly, 50% NH3, significant reduction is observed, notably height 30 mm from burner. For dual flames, reaction NH2 + O ↔ HNO H was less compared its effect whereas O2 OH demonstrated highest sensitivity coefficient. An increase ratio correspondingly led consumption rates, heightening coefficient inhibition, providing critical insights into optimization.

Language: Английский

Citations

0

Soot formation and laminar combustion characteristics of anisole: ReaxFF MD simulation and kinetic analysis DOI Creative Commons

Wenlong Dong,

Run Hong,

Jinfang Yao

et al.

Carbon Neutrality, Journal Year: 2024, Volume and Issue: 3(1)

Published: Oct. 31, 2024

Abstract The application of biomass energy is one the important ways to achieve carbon neutrality and deal with global warming. study on combustion mechanism anisole, an oxygen-containing fuel, helpful for biofuel large-scale application. In this study, soot formation laminar characteristics anisole were analyzed by reactive force field molecular dynamics (ReaxFF MD) kinetic simulation, respectively. ReaxFF MD simulation studies had shown that occurred in three stages, stage 1 (0–1 ns), 2 (1–2.5 3 (2.5–6 ns). stages represented pyrolysis developmental soot, graphitization During primary mechanisms as follows: H-abstraction-C H -addition, carbon-addition-hydrogen-addition, internal ring long chain link. exhibited different morphologically behaviors: from flakes onions spheres fewer branched chains. From it can be found burning velocities increased along increase temperature, while opposite trend was pressure. sensitivity coefficient naphthalene, main precursor, revealed promotional reactions R5 (O + < = > O OH), R36 (CO OH CO H).

Language: Английский

Citations

0