Soot formation in laminar ammonia-ethylene counterflow diffusion flames: Isolation of chemical, thermal, and dilution effects

IF 8.1 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy Pub Date : 2024-11-13 DOI:10.1016/j.ijhydene.2024.11.137

Zhicong Li , Shijia Liu , Chun Lou , Nimeti Kalaycı , Zhongnong Zhang , Kai Zhao , Songzhen Tang

{"title":"Soot formation in laminar ammonia-ethylene counterflow diffusion flames: Isolation of chemical, thermal, and dilution effects","authors":"Zhicong Li , Shijia Liu , Chun Lou , Nimeti Kalaycı , Zhongnong Zhang , Kai Zhao , Songzhen Tang","doi":"10.1016/j.ijhydene.2024.11.137","DOIUrl":null,"url":null,"abstract":"<div><div>This numerical study investigates the effect of ammonia (NH3) addition on soot formation in laminar ethylene counterflow diffusion flames (CDFs). A chemically inert species is used to isolate the chemical effect, while the thermal and dilution effects are isolated using the formation rate fitting method. The KM2-NH3 mechanism is constructed, demonstrating good applicability for modeling NH3–C2H4 CDFs. As the NH3 addition ratio (XNH3) increases, the peak temperature, benzene (A1) mole fraction, and soot volume fraction (SVF) decrease. The chemical effect of NH3 addition promotes temperature though R1: H + O2<img>O + OH and R1927: NH2 + NH<img>N2H2 + H. It also promotes A1 formation by boosting R298: 2C2H3 → A1, etc., and converts C4H6-13 to produce C3H3. However, it suppresses soot formation through surface growth SR42: open (se) + C2H2 → H (se) + 2C(B) + H. The dilution effect on suppressing A1 formation is stronger than the thermal effect. The thermal effect dominates the suppression of soot formation, and the chemical effect is stronger than the dilution effect at low XNH3, while the opposite is true at high XNH3.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"94 ","pages":"Pages 444-455"},"PeriodicalIF":8.1000,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Hydrogen Energy","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0360319924048171","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

This numerical study investigates the effect of ammonia (NH₃) addition on soot formation in laminar ethylene counterflow diffusion flames (CDFs). A chemically inert species is used to isolate the chemical effect, while the thermal and dilution effects are isolated using the formation rate fitting method. The KM2-NH₃ mechanism is constructed, demonstrating good applicability for modeling NH₃–C₂H₄ CDFs. As the NH₃ addition ratio (X_NH3) increases, the peak temperature, benzene (A1) mole fraction, and soot volume fraction (SVF) decrease. The chemical effect of NH₃ addition promotes temperature though R1: H + O₂O + OH and R1927: NH₂ + NHN₂H₂ + H. It also promotes A1 formation by boosting R298: 2C₂H₃ → A1, etc., and converts C₄H₆-13 to produce C₃H₃. However, it suppresses soot formation through surface growth SR42: open (se) + C₂H₂ → H (se) + 2C(B) + H. The dilution effect on suppressing A1 formation is stronger than the thermal effect. The thermal effect dominates the suppression of soot formation, and the chemical effect is stronger than the dilution effect at low X_NH3, while the opposite is true at high X_NH3.

查看原文本刊更多论文

层流氨-乙烯逆流扩散火焰中烟尘的形成：化学效应、热效应和稀释效应的分离

本数值研究探讨了添加氨气（NH3）对层流乙烯逆流扩散火焰（CDF）中烟尘形成的影响。使用化学惰性物质隔离化学效应，同时使用形成率拟合方法隔离热效应和稀释效应。构建的 KM2-NH3 机理证明了 NH3-C2H4 CDF 建模的良好适用性。随着 NH3 添加比（XNH3）的增加，峰值温度、苯（A1）摩尔分数和烟尘体积分数（SVF）都会降低。添加 NH3 的化学效应通过 R1：H + O2O + OH 和 R1927 升温：它还通过提高 R298：2C2H3 → A1 等促进 A1 的形成，并将 C4H6-13 转化为 C3H3。然而，它通过表面生长 SR42 抑制烟尘的形成：open (se) + C2H2 → H (se) + 2C(B) + H。在低 XNH3 条件下，热效应在抑制烟尘形成方面占主导地位，化学效应强于稀释效应，而在高 XNH3 条件下则相反。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

International Journal of Hydrogen Energy 工程技术-环境科学

CiteScore

13.50

自引率

25.00%

发文量

3502

审稿时长

60 days

期刊介绍： The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.