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Science and Technology for the Built Environment Volume 22, 2016 - Issue 8: Low GWP Working Fluids

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Molecular simulation studies in hydrofluoroolefine (HFO) working fluids and their blends

Gabriele RaabeInstitut für Thermodynamik, TU Braunschweig, Hans-Sommer-Str. 5, D-38106Braunschweig, GermanyCorrespondence[email protected]

Pages 1077-1089 | Received 02 Feb 2016, Accepted 10 May 2016, Published online: 02 Sep 2016

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https://doi.org/10.1080/23744731.2016.1206796
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Takemasa KAWAHARA, Tomoaki IMAI, Tetsuya OKUMURA & Chieko KONDOU. (2023) Molecular simulation and experimental validation for surface tension of new Low-GWP refrigerant mixtures R32/CF3I and R1123/CF3I. Journal of Molecular Liquids 386, pages 122532.
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Ning Wang, Montana N. Carlozo, Eliseo Marin-Rimoldi, Bridgette J. Befort, Alexander W. Dowling & Edward J. Maginn. (2023) Machine Learning-Enabled Development of Accurate Force Fields for Refrigerants. Journal of Chemical Theory and Computation 19:14, pages 4546-4558.
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Joseph Oyekale & Chinedum Mgbemena. (2023) Thermodynamic Optimization of Subcritical and Supercritical Organic Rankine Cycle Power Plants for Waste Heat Recovery in Marine Vessels. Journal of Thermal Science and Engineering Applications 15:3.
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Md. Sarwar Alam & Ji Hwan Jeong. (2022) MD simulation estimation of saturation pressure and vapor-liquid equilibrium for binary blends of HFO-1234yf and HFO-1123. International Journal of Air-Conditioning and Refrigeration 30:1.
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Nicola Tasinato, Andrea Pietropolli Charmet, Giorgia Ceselin, Zoi Salta & Paolo Stoppa. (2022) In Vitro and In Silico Vibrational–Rotational Spectroscopic Characterization of the Next-Generation Refrigerant HFO-1123 . The Journal of Physical Chemistry A 126:32, pages 5328-5342.
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Hiroyuki Miyamoto, Yuuhei Nakamura, Kyouhei Minai & Tessei Yamada. (2022) Measurements and modeling of the vapor–liquid equilibrium properties of low-global-warming-potential refrigerant R32/R1234yf/R1123 ternary mixtures. Fluid Phase Equilibria 558, pages 113440.
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Ismail I. I. Alkhatib, Carlos G. Albà, Ahmad S. Darwish, Fèlix Llovell & Lourdes F. Vega. (2022) Searching for Sustainable Refrigerants by Bridging Molecular Modeling with Machine Learning. Industrial & Engineering Chemistry Research 61:21, pages 7414-7429.
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Daniel Jovell, Josep O. Pou, Fèlix Llovell & Rafael Gonzalez-Olmos. (2021) Life Cycle Assessment of the Separation and Recycling of Fluorinated Gases Using Ionic Liquids in a Circular Economy Framework. ACS Sustainable Chemistry & Engineering 10:1, pages 71-80.
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Takehiro Miura, Tomoaki Imai, Tetsuya Okumura & Chieko Kondou. (2022) Molecular simulation for R1123 thermophysical properties分子シミュレーションによるR1123の熱物性予測. Netsu Bussei 36:3, pages 96-101.
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Carlos G. Albà, Ismail I. I. Alkhatib, Fèlix Llovell & Lourdes F. Vega. (2021) Assessment of Low Global Warming Potential Refrigerants for Drop-In Replacement by Connecting their Molecular Features to Their Performance. ACS Sustainable Chemistry & Engineering 9:50, pages 17034-17048.
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Mirhadi S. Sadaghiani, Arash Arami-Niya, Benjamin Marsh, Saif Z.S. Al Ghafri & Eric F. May. (2021) Vapor–Liquid Equilibria for Carbon Dioxide + 3,3,3-Trifluoropropene Binary Mixtures at Temperatures between (288 and 348) K. Journal of Chemical & Engineering Data 66:11, pages 4044-4055.
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Ian H. Bell, Demian Riccardi, Ala Bazyleva & Mark O. McLinden. (2021) Survey of Data and Models for Refrigerant Mixtures Containing Halogenated Olefins. Journal of Chemical & Engineering Data 66:6, pages 2335-2354.
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Chieko Kondou. (2021) Research Trends in Low GWP Candidate Refrigerants and Their Properties for Low Temperature Applications低温機器に適する低GWP候補冷媒およびその物性の研究動向. Marine Engineering 56:3, pages 349-354.
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Bowen Sheng, Yanxing Zhao, Xueqiang Dong, Han Yan, Quan Zhong, Jingzhou Wang, Jun Shen & Maoqiong Gong. (2020) A corresponding state equation for compressed liquid isochoric heat capacity of pure and mixture refrigerants. International Journal of Refrigeration.
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T. Yamada, H. Miyamoto, N. Sakoda & Y. Higashi. (2020) Vapor–Liquid Equilibrium Property Measurements for R32/R1234yf Binary Mixtures in Low R32 Concentration. International Journal of Thermophysics 41:12.
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Ryo Akasaka, Yukihiro Higashi, Naoya Sakoda, Sho Fukuda & Eric W. Lemmon. (2020) Thermodynamic properties of trifluoroethene (R1123): (p, ρ, T) behavior and fundamental equation of state. International Journal of Refrigeration 119, pages 457-467.
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H. Miyamoto, T. Saito, N. Sakoda, U. Perera, T. Ishii, K. Thu & Y. Higashi. (2020) Measurement of the vapor–liquid equilibrium properties of the binary low GWP refrigerant R32/R1123. International Journal of Refrigeration 119, pages 340-348.
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Gabriele Raabe. (2020) Purely Predictive Vapor–Liquid Equilibrium Properties of 3,3,4,4,4-Pentafluoro-1-butene (HFO-1345fz), 2,3,3,4,4,4-Hexafluoro-1-butene (HFO-1336yf), and trans -1-Chloro-2,3,3,3-tetrafluoropropene (HCFO-1224yd(E)) from Molecular Simulation . Journal of Chemical & Engineering Data 65:9, pages 4318-4325.
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Carlos G. Albà, Lourdes F. Vega & Fèlix Llovell. (2020) Assessment on Separating Hydrofluoroolefins from Hydrofluorocarbons at the Azeotropic Mixture R513A by Using Fluorinated Ionic Liquids: A Soft-SAFT Study. Industrial & Engineering Chemistry Research 59:29, pages 13315-13324.
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Maria E. Mondejar & Fredrik Haglind. (2020) The potential of halogenated olefins as working fluids for organic Rankine cycle technology. Journal of Molecular Liquids 310, pages 112971.
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Rubaiyet Abedin, Yan Shen, John C. Flake & Francisco R. Hung. (2020) Deep Eutectic Solvents Mixed with Fluorinated Refrigerants for Absorption Refrigeration: A Molecular Simulation Study. The Journal of Physical Chemistry B 124:22, pages 4536-4550.
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Carlos G. Albà, Lourdes F. Vega & Fèlix Llovell. (2020) A consistent thermodynamic molecular model of n-hydrofluoroolefins and blends for refrigeration applications. International Journal of Refrigeration 113, pages 145-155.
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Xianhua Nie, Zhenyu Du, Li Zhao, Shuai Deng & Yue Zhang. (2019) Molecular dynamics study on transport properties of supercritical working fluids: Literature review and case study. Applied Energy 250, pages 63-80.
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Md. Sarwar Alam & Ji Hwan Jeong. (2019) Thermodynamic properties and critical parameters of HFO-1123 and its binary blends with HFC-32 and HFC-134a using molecular simulations. International Journal of Refrigeration 104, pages 311-320.
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Jatinder Gill, Jagdev Singh, Olayinka S. Ohunakin & Damola S. Adelekan. (2018) Exergy analysis of vapor compression refrigeration system using R450A as a replacement of R134a. Journal of Thermal Analysis and Calorimetry 136:2, pages 857-872.
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Siyi Wang, Rémi Fauve, Christophe Coquelet, Alain Valtz, Céline Houriez, Pierre-Arnaud Artola, Elise El Ahmar, Bernard Rousseau & Haitao Hu. (2019) Vapor–liquid equilibrium and molecular simulation data for carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa. International Journal of Refrigeration 98, pages 362-371.
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Xianhua Nie, Li Zhao & Shuai Deng. (2019) Molecular Simulation Studies on Vapor-Liquid Equilibria and Thermal Decomposition of Working Fluids – A Review. Energy Procedia 158, pages 5263-5268.
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Xianhua Nie, Li Zhao, Shuai Deng, Wen Su & Yue Zhang. (2018) A review of molecular simulation applied in vapor-liquid equilibria (VLE) estimation of thermodynamic cycles. Journal of Molecular Liquids 264, pages 652-674.
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Stéphane Tromp, Laurent Joly, Manuel Cobian & Nicolas Fillot. (2018) Chemical Physics at Interfaces within a Refrigerant-Lubricated Contact: From Electronic Structure to Large-Scale Molecular Dynamics Simulations. The Journal of Physical Chemistry C 122:10, pages 5420-5429.
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Yukihiro Higashi, Naoya Sakoda, Md. Amirul Islam, Yasuyuki Takata, Shigeru Koyama & Ryo Akasaka. (2018) Measurements of Saturation Pressures for Trifluoroethene (R1123) and 3,3,3-Trifluoropropene (R1243zf). Journal of Chemical & Engineering Data 63:2, pages 417-421.
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Pavel Makhnatch, Adrián Mota-Babiloni & Rahmatollah Khodabandeh. (2017) Experimental study of R450A drop-in performance in an R134a small capacity refrigeration unit. International Journal of Refrigeration 84, pages 26-35.
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Molecular simulation studies in hydrofluoroolefine (HFO) working fluids and their blends

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Molecular simulation studies in hydrofluoroolefine (HFO) working fluids and their blends

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