IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v304y2024ics0360544224017584.html
   My bibliography  Save this article

Study on flammability limit and combustion reactions behaviors of R744/R152a environmentally friendly mixed working fluid by experiments and molecular dynamic simulation

Author

Listed:
  • Wang, Xueyan
  • Tian, Hua
  • Shu, Gequn
  • Yang, Zhao

Abstract

R744/R152a mixture has broader application prospects. However, its thermodynamic and safety characteristics need to be fully considered. This paper presents the flammability characteristics and reaction mechanism of R744/R152a mixture by experimental and ReaxFF MD. Firstly, the flammable zones of the mixture with different ratios were tested on a high-precision experimental setup. Using a high-speed camera and an infrared thermographic record flame evolution characteristics and relative flame temperature of the mixture both lean and rich limits. The flammable zones of R152a are 0.386–0.685 (Φ) at y = 0. R744 was able to narrow the flammability zones of R152a. As the inert gas increases, the lean and rich limits merge, is 0.542 (Φ). Based on experimental studies, the inhibitory effect of R744 on the oxidation mechanism of R152a was investigated from the atomic level using ReaxFF MD. The results showed that the R744 increased the activation energy of the system from 52.08 kcal/mol to 55.73 kcal/mol, 52.18 kcal/mol, 57.04 kcal/mol, 52.93 kcal/mol, 52.98 kcal/mol, respectively. Reaction pathways and the rates of elementary reaction are significantly suppressed. The simplified mechanism of the oxidation can reveal the macroscopic phenomenon that R744 inhibits flame propagation. The results of this study provide safety guidance for R744/R152a applications.

Suggested Citation

  • Wang, Xueyan & Tian, Hua & Shu, Gequn & Yang, Zhao, 2024. "Study on flammability limit and combustion reactions behaviors of R744/R152a environmentally friendly mixed working fluid by experiments and molecular dynamic simulation," Energy, Elsevier, vol. 304(C).
    • Handle: RePEc:eee:energy:v:304:y:2024:i:c:s0360544224017584
    DOI: 10.1016/j.energy.2024.131985
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544224017584
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2024.131985?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Yao, Yu & Shi, Lingfeng & Tian, Hua & Wang, Xuan & Sun, Xiaocun & Zhang, Yonghao & Wu, Zirui & Sun, Rui & Shu, Gequn, 2022. "Combined cooling and power cycle for engine waste heat recovery using CO2-based mixtures," Energy, Elsevier, vol. 240(C).
    2. Pang, Yunhui & Zhu, Xiaoli & Li, Ning & Wang, Zhenbo, 2023. "Investigation on reaction mechanism for CO2 gasification of softwood lignin by ReaxFF MD method," Energy, Elsevier, vol. 267(C).
    3. Jinzhe Zeng & Liqun Cao & Mingyuan Xu & Tong Zhu & John Z. H. Zhang, 2020. "Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    4. Zhao, Zhen & Luo, Jielin & Zou, Dexin & Yang, Kaiyin & Wang, Qin & Chen, Guangming, 2023. "Experimental investigation on the inhibition of flame retardants on the flammability of R1234ze(E)," Energy, Elsevier, vol. 263(PE).
    5. Zhe (Han) Weng & Lukas Zwieten & Ehsan Tavakkoli & Michael T. Rose & Bhupinder Pal Singh & Stephen Joseph & Lynne M. Macdonald & Stephen Kimber & Stephen Morris & Terry J. Rose & Braulio S. Archanjo &, 2022. "Microspectroscopic visualization of how biochar lifts the soil organic carbon ceiling," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    6. Hu, Xianzhong & Yu, Qingbo & Liu, Junxiang & Sun, Nan, 2014. "Investigation of laminar flame speeds of CH4/O2/CO2 mixtures at ordinary pressure and kinetic simulation," Energy, Elsevier, vol. 70(C), pages 626-634.
    7. Pan, Lisheng & Ma, Yuejing & Li, Teng & Li, Huixin & Li, Bing & Wei, Xiaolin, 2019. "Investigation on the cycle performance and the combustion characteristic of two CO2-based binary mixtures for the transcritical power cycle," Energy, Elsevier, vol. 179(C), pages 454-463.
    8. Hu, Xianzhong & Yu, Qingbo & Sun, Yasong, 2020. "Effects of carbon dioxide on the upper flammability limits of methane in O2/CO2 atmosphere," Energy, Elsevier, vol. 208(C).
    9. Tian, Hua & Liu, Yuewei & Shu, Gequn & Li, Linqing & Huo, Xu, 2019. "Theoretical and experimental research on the influence of initial temperature on the flammability of hydrocarbon-CO2 mixture using in organic Rankine cycle," Energy, Elsevier, vol. 167(C), pages 939-949.
    10. Bai, Zhongze & Jiang, Xi Zhuo & Luo, Kai H., 2022. "Effects of water on pyridine pyrolysis: A reactive force field molecular dynamics study," Energy, Elsevier, vol. 238(PB).
    11. Bruna Paulsen & Silvia Velasco & Amanda J. Kedaigle & Martina Pigoni & Giorgia Quadrato & Anthony J. Deo & Xian Adiconis & Ana Uzquiano & Rafaela Sartore & Sung Min Yang & Sean K. Simmons & Panagiotis, 2022. "Autism genes converge on asynchronous development of shared neuron classes," Nature, Nature, vol. 602(7896), pages 268-273, February.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Wang, Xueyan & Tian, Hua & Shu, Gequn & Yang, Zhao, 2024. "Experimental and chemical kinetics study on the flammability limit of CO2/C3H6 mixture working fluid at variable initial temperature," Energy, Elsevier, vol. 301(C).
    2. Hu, Xianzhong & Yu, Qingbo & Sun, Yasong, 2020. "Effects of carbon dioxide on the upper flammability limits of methane in O2/CO2 atmosphere," Energy, Elsevier, vol. 208(C).
    3. Yu, Aofang & Xing, Lingli & Su, Wen & Liu, Pei, 2023. "State-of-the-art review on the CO2 combined power and cooling system: System configuration, modeling and performance," Renewable and Sustainable Energy Reviews, Elsevier, vol. 188(C).
    4. Hu, Xianzhong & Yu, Qingbo, 2018. "Effect of the elevated initial temperature on the laminar flame speeds of oxy-methane mixtures," Energy, Elsevier, vol. 147(C), pages 876-883.
    5. Jie Zhang & Gongcheng Hu & Yuli Lu & Huawei Ren & Yin Huang & Yulin Wen & Binrui Ji & Diyang Wang & Haidong Wang & Huisheng Liu & Ning Ma & Lingling Zhang & Guangjin Pan & Yibo Qu & Hua Wang & Wei Zha, 2024. "CTCF mutation at R567 causes developmental disorders via 3D genome rearrangement and abnormal neurodevelopment," Nature Communications, Nature, vol. 15(1), pages 1-21, December.
    6. Zhang, Yun & Zhang, Chuanbiao & Li, Wenjuan & Xiao, Qiuping & Jiao, Fengyuan & Xu, Sen & Lan, Yanhua & Fu, Yizheng & Shu, Chi-Min & Cao, Weiguo, 2023. "Reaction mechanism of stearic acid pyrolysis via reactive molecular dynamics simulation and TG-IR technology," Renewable Energy, Elsevier, vol. 217(C).
    7. Sun, Xiaocun & Shi, Lingfeng & Zhou, Shuo & Zhang, Yonghao & Yao, Yu & Tian, Hua & Shu, Gequn, 2024. "Experimental investigation on CO2-based zeotropic mixture composition-adjustable system," Energy, Elsevier, vol. 300(C).
    8. Zhang, Ji & Hu, Xudong & Wu, Ding & Huang, Xiaohui & Wang, Xuehui & Yang, Yan & Wen, Chuang, 2023. "A comparative study on design and performance evaluation of Organic Rankine Cycle (ORC) under different two-phase heat transfer correlations," Applied Energy, Elsevier, vol. 350(C).
    9. Pan, Lisheng & Shi, Weixiu & Wei, Xiaolin & Li, Teng & Li, Bo, 2020. "Experimental verification of the self-condensing CO2 transcritical power cycle," Energy, Elsevier, vol. 198(C).
    10. Li, Yueh-Heng & Chen, Guan-Bang & Wu, Fang-Hsien & Hsieh, Hsiu-Feng & Chao, Yei-Chin, 2016. "Effects of carbon dioxide in oxy-fuel atmosphere on catalytic combustion in a small-scale channel," Energy, Elsevier, vol. 94(C), pages 766-774.
    11. Zhang, Chong & Shi, Lingfeng & Pei, Gang & Yao, Yu & Li, Kexin & Zhou, Shuo & Shu, Gequn, 2023. "Thermodynamic analysis of combined heating and power system with In-Situ resource utilization for lunar base," Energy, Elsevier, vol. 284(C).
    12. Mattia Zaghi & Federica Banfi & Luca Massimino & Monica Volpin & Edoardo Bellini & Simone Brusco & Ivan Merelli & Cristiana Barone & Michela Bruni & Linda Bossini & Luigi Antonio Lamparelli & Laura Pi, 2023. "Balanced SET levels favor the correct enhancer repertoire during cell fate acquisition," Nature Communications, Nature, vol. 14(1), pages 1-21, December.
    13. Huang, Zhiming & Bai, Yu & Chen, Jingwei & Wu, Xiaomin & E, Jiaqiang, 2024. "Molecular dynamics simulation on interaction effect of complex contents on supercritical water gasification of pig breeding wastewater for hydrogen production," Energy, Elsevier, vol. 294(C).
    14. Carolina Gracia-Diaz & Yijing Zhou & Qian Yang & Reza Maroofian & Paula Espana-Bonilla & Chul-Hwan Lee & Shuo Zhang & Natàlia Padilla & Raquel Fueyo & Elisa A. Waxman & Sunyimeng Lei & Garrett Otrimsk, 2023. "Gain and loss of function variants in EZH1 disrupt neurogenesis and cause dominant and recessive neurodevelopmental disorders," Nature Communications, Nature, vol. 14(1), pages 1-18, December.
    15. Yu, Wei & Liu, Chao & Tan, Luxi & Li, Qibin & Xin, Liyong & Wang, Shukun, 2023. "Thermal stability and thermal decomposition mechanism of octamethyltrisiloxane (MDM): Combined experiment, ReaxFF-MD and DFT study," Energy, Elsevier, vol. 284(C).
    16. Guo, Jia-Qi & Li, Ming-Jia & He, Ya-Ling & Xu, Jin-Liang, 2019. "A study of new method and comprehensive evaluation on the improved performance of solar power tower plant with the CO2-based mixture cycles," Applied Energy, Elsevier, vol. 256(C).
    17. Zhang, Ji & Wu, Ding & Huang, Xiaohui & Hu, Xudong & Fang, Xi & Wen, Chuang, 2024. "Comparative study on the organic rankine cycle off-design performance under different zeotropic mixture flow boiling correlations," Renewable Energy, Elsevier, vol. 226(C).
    18. Mosaffa, A.H. & Garousi Farshi, L., 2022. "Exergoeconomic analysis and optimization of a novel integrated two power/cooling cogeneration system using zeotropic mixtures," Energy, Elsevier, vol. 253(C).
    19. Sun, Xiaocun & Shi, Lingfeng & Tian, Hua & Wang, Xuan & Zhang, Yonghao & Yao, Yu & Lu, Bowen & Sun, Rui & Shu, Gequn, 2023. "Performance enhancement of combined cooling and power cycle through composition adjustment in off-design conditions," Energy, Elsevier, vol. 278(PA).
    20. Mao Li & Yiheng Tong & Marcus Thern & Jens Klingmann, 2017. "Investigation of Methane Oxy-Fuel Combustion in a Swirl-Stabilised Gas Turbine Model Combustor," Energies, MDPI, vol. 10(5), pages 1-16, May.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:304:y:2024:i:c:s0360544224017584. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.