Highly Accurate Measurement and Molecular Dynamic Simulation on Capitally Constant for Environmentally Benign Next Generation Refrigerants

• Project/Area Number: 17K14603
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Thermal engineering
• Research Institution: Nagasaki University
• Principal Investigator: KONDOU chieko 長崎大学, 工学研究科, 教授 (50752870)
• Project Period (FY): 2017-04-01 – 2020-03-31
• Project Status: Completed (Fiscal Year 2019)
• Budget Amount: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000); Fiscal Year 2019: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000); Fiscal Year 2018: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000); Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
• Keywords: 地球温暖化 / 表面張力 / フロンガス / 分子動力学シミュレーション / 地球温暖化防止 / 低GWP冷媒 / 分子動力学 / 示差毛管上昇法

Outline of Final Research Achievements

Surface tension of new refrigerants R1224yd(Z) and R1123 with very small global warming potentials are measured. Those data are now available in open literatures. Liquid-vapor systems of those substances are simulated by a molecular dynamic simulation to predict saturated density and surface tension. Ethylene is first simulated because adequate measurement data sets are reported. Among the parameters of molecular structure, the partial charges assigned on atoms affect the liquid density most. The obtained liquid density changes by 10 to 20 % relatively by the variation of partial charges. However, the results obviously deviated at reduced temperatures above 0.9. To get better accuracy in surface tension and density both, intermolecular parameters are also adjusted. On the other hand, the simulated liquid-vapor systems for R1234yf and R1123, fluorinated ethylene derivatives, show better agreement with the measurement results rather than ethylene even at reduced temperatures above 0.9.

Academic Significance and Societal Importance of the Research Achievements

地球温暖化は国境を越えて多大な影響を及ぼす事象であり，各国が協力し合って取り組まなければならない課題である．地球温暖化ガスのうち，エアコンや冷凍機器に充填されている冷媒の年間排出量はＣＯ２に比して少ないものの，大気寿命が数年から百年以上と長いため，早期の切り替えが求められている．本研究により，地球温暖化係数の小さい冷媒の普及が進み，冷凍空調機器の製造・リサイクル過程などで漏洩するフロンによる温暖化への影響を低減することができれば，快適な生活と環境保全に貢献することができる．

Research Products

• [Journal Article] Correlation Assessment and Temperature Dependence Check ofSurface Tension and Parachor for New Low-GWP Pure Refrigerants (2020)
  • Author(s): 岩崎 俊、近藤 智恵子、東 之弘
  • Journal Title: Transactions of the Japan Society of Refrigerating and Air Conditioning Engineers Volume: 37 Issue: 1 Pages: 73
  • DOI: 10.11322/tjsrae.19-36TG_EM_OA
  • NAID: 130008009463
  • ISSN: 1344-4905, 2185-789X
  • Year and Date: 2020-03-31
  • Peer Reviewed / Open Access
• [Journal Article] 分子軌道‐分子動力学計算によるHFO1123の飽和密度および表面張力計算 (2020)
  • Author(s): 奥村哲也、近藤智恵子、干野浩平、岩崎俊
  • Journal Title: 日本冷凍空調学会論文集 Volume: 1 Pages: 81-88
  • NAID: 130008009502
  • Peer Reviewed
• [Journal Article] Surface Tension and Parachor Measurement of Low-Global Warming Potential Working Fluid cis-1-Chloro-2,3,3,3-tetrafluoropropene (R1224yd(Z)) (2019)
  • Author(s): Kondou Chieko、Higashi Yukihiro、Iwasaki Shun
  • Journal Title: Journal of Chemical & Engineering Data Volume: 64 Issue: 12 Pages: 5462-5468
  • DOI: 10.1021/acs.jced.9b00613
  • NAID: 120007168281
  • Peer Reviewed
• [Journal Article] Surface Tension Measurement for a New Low-GWP Refrigerant HFO-1123 by a Differential Capillary Rise Method (2018)
  • Author(s): 近藤智恵子，東之弘
  • Journal Title: Transactions of the Japan Society of Refrigerating and Air Conditioning Engineers Volume: 35 Issue: 4 Pages: 403
  • DOI: 10.11322/tjsrae.18-31AC_OA
  • NAID: 130007777939
  • ISSN: 1344-4905, 2185-789X
  • Year and Date: 2018-12-31
  • Peer Reviewed / Open Access
• [Presentation] MD Simulation for Ethylene and the Derivative Low GWP Refrigerants R1123 and R1132a (2020)
  • Author(s): Okumura,T., Kondou, C., Hoshino, K., Iwasaki, S.
  • Organizer: 10th Asian Conference on Refrigeration and Air-conditioning ACRA2020
  • Int'l Joint Research
• [Presentation] 分子動力学法によるエチレンの表面張力の計算 (2019)
  • Author(s): 奥村哲也，干野浩平，近藤智恵子，林 秀千人
  • Organizer: 日本機械学会2019年度年次大会
• [Presentation] Surface Tension Measurement and Modeling Work for New Low GWP Working Fluids (2019)
  • Author(s): Kondou, C., Elabbadi, J., Houriez, C., Masella, M., Higashi, Y., Coquelet, C.,
  • Organizer: The 25th IIR International Congress of Refrigeration
  • Int'l Joint Research
• [Presentation] Molecular Simulation for Surface Tension of New Low GWP Working Fluids (2019)
  • Author(s): Houriez, C., Masella, M., Kondou, C., Higashi, Y., Elabbadi, J., Coquelet, C.
  • Organizer: The 25th IIR International Congress of Refrigeration
  • Int'l Joint Research
• [Presentation] Surface Tension Measurement and Modeling Work for New Low GWP Working Fluids (2019)
  • Author(s): Chieko KONDOU, Jamal EL ABBADI, Celine HOURIEZ, Michel MASELLA,, Yukihiro HIGASHI, Christophe COQUELET
  • Organizer: The 25th IIR International congress of refrigeration
  • Int'l Joint Research
• [Presentation] Molecular Simulation for Surface Tension of New Low GWP Working Fluids (2019)
  • Author(s): Celine HOURIEZ, Michel MASELLA, Chieko KONDOU, Yukihiro HIGASHI, Jamal EL ABBADI, Christophe COQUELET
  • Organizer: The 25th IIR International congress of refrigeration
• [Presentation] Surface tension measurement of low GWP refrigerant mixture HFO-1123/HFC-32 (2018)
  • Author(s): Kondou, C., Matsuzono, T., Tsuyashima, T., Higashi, Y.
  • Organizer: The 9th Asian Conference on Refrigeration and Air-conditioning ACRA2018
  • Int'l Joint Research
• [Presentation] Surface Tension Measurement of Low GWP Refrigerant Mixture HFO-1123/HFC-32 and HFO-1234ze(E)/HFC-32 (2018)
  • Author(s): Kondou, C., Matsuzono, T., Higashi, Y.
  • Organizer: 17th International Refrigeration and Air Conditioning Conference at Purdue
  • Int'l Joint Research
• [Presentation] 示差毛管上昇法による新規低GWP冷媒の表面張力測定 (2017)
  • Author(s): 近藤智恵子，東之弘，艶島太郎，小山繁
  • Organizer: 2017年度日本冷凍空調学会年次大会