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. 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.
    4. 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.
    5. 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).
    6. 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).
    7. 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.
    8. 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).
    9. 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.
    10. 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.
    11. 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.
    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. Nair, Aswathy & Velamati, Ratna Kishore & Kumar, Sudarshan, 2016. "Effect OF CO2/N2 dilution on laminar burning velocity of liquid petroleum gas-air mixtures at elevated temperatures," Energy, Elsevier, vol. 100(C), pages 145-153.
    5. Chen, Chonghui & Xing, Lingli & Su, Wen & Lin, Xinxing, 2023. "Performance prediction and design of CO2 mixtures with the PR-VDW model and molecular groups for the transcritical power cycle," Energy, Elsevier, vol. 282(C).
    6. Huang, Jiliang & Tan, Bo & Gao, Liyang & Shao, Zhuangzhuang & Wang, Haiyan & Chen, Zhen, 2023. "A multi-channel reaction model study of key primary and secondary active groups in the low-temperature oxidation process of coal," Energy, Elsevier, vol. 283(C).
    7. Kumma, Nagarjuna & Kruthiventi, S.S Harish, 2024. "Current status of refrigerants used in domestic applications: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 189(PB).
    8. 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.
    9. Shuai Jiang & Yi-Rong Liu & Teng Huang & Ya-Juan Feng & Chun-Yu Wang & Zhong-Quan Wang & Bin-Jing Ge & Quan-Sheng Liu & Wei-Ran Guang & Wei Huang, 2022. "Towards fully ab initio simulation of atmospheric aerosol nucleation," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    10. 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.
    11. 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).
    12. Zhao, Dongpeng & Han, Changho & Cho, Wonhee & Zhao, Li & Kim, Yongchan, 2022. "Directly combining a power cycle and refrigeration cycle: Method and case study," Energy, Elsevier, vol. 259(C).
    13. Jonathan Vandermause & Yu Xie & Jin Soo Lim & Cameron J. Owen & Boris Kozinsky, 2022. "Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    14. Itamar A. Shabtai & Roland C. Wilhelm & Steffen A. Schweizer & Carmen Höschen & Daniel H. Buckley & Johannes Lehmann, 2023. "Calcium promotes persistent soil organic matter by altering microbial transformation of plant litter," Nature Communications, Nature, vol. 14(1), pages 1-13, December.
    15. 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).
    16. 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).
    17. 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).
    18. Jing Wu & E Zhou & An Huang & Hongbin Zhang & Ming Hu & Guangzhao Qin, 2024. "Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    19. 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.
    20. Doninelli, M. & Morosini, E. & Di Marcoberardino, G. & Invernizzi, C.M. & Iora, P. & Riva, M. & Stringari, P. & Manzolini, G., 2024. "Experimental investigation of the CO2+SiCl4 mixture as innovative working fluid for power cycles: Bubble points and liquid density measurements," Energy, Elsevier, vol. 299(C).

    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.