Citation: | SUN Kailei, WANG Xu, CAI Boqing, LIAO Chunfa, SHI Zhongning. Molecular dynamics simulation evaluation on viscosity of typical alkali metal fluorine salts[J]. Nonferrous Metals Science and Engineering, 2023, 14(1): 24-29. DOI: 10.13264/j.cnki.ysjskx.2023.01.004 |
[1] |
CHENG J H, ZHANG P, AN X H, et al. A device for measuring the density and liquidus temperature of molten fluorides for heat transfer and storage[J]. Chinese Physics Letters, 2013, 30(12): 126501. doi: 10.1088/0256-307X/30/12/126501
|
[2] |
GU Y, LIU J, QU S, et al. Electrodeposition of alloys and compounds from high-temperature molten salts[J]. Journal of Alloys and Compounds, 2017, 690: 228-238. doi: 10.1016/j.jallcom.2016.08.104
|
[3] |
SERP J, ALLIBERT M, BENEŠ O, et al. The molten salt reactor (MSR) in generation Ⅳ: Overview and perspectives[J]. Progress in Nuclear Energy, 2014, 77: 308-319. doi: 10.1016/j.pnucene.2014.02.014
|
[4] |
WALDROP, MITCHELL M. Nuclear energy: Radical reactors[J]. Nature, 2012, 492(7427): 26-29. doi: 10.1038/492026a
|
[5] |
MYASNIKOV A, PONOMAREV L. Molten salt fast reactor with U-Pu fuel cycle[J]. Progress in Nuclear Energy, 2015, 82: 33-36. doi: 10.1016/j.pnucene.2014.07.014
|
[6] |
CHEN Y, WU Y, REN N, et al. Experimental study of viscosity characteristics of high-temperature heat transfer molten salts[J]. Science China Technological Sciences, 2011, 54(11): 3022-3026. doi: 10.1007/s11431-011-4530-x
|
[7] |
CHEN M, RAGHUNATH S, ZHAO B. Viscosity measurements of SiO2-"FeO"-MgO system in equilibrium with metallic Fe[J]. Metallurgical and Materials Transactions B, 2014, 45(1): 58-65. doi: 10.1007/s11663-013-9917-6
|
[8] |
INMAN D, WHITE S H. The production of refractory metals by the electrolysis of molten salts; design factors and limitations[J]. Journal of Applied Electrochemistry, 1978, 8(5): 375-390. doi: 10.1007/BF00615833
|
[9] |
DANĚK, VLADIMÍR. Physico-chemical analysis of molten electrolytes[M]. Elsevier B. V, 2006(8): 327-357.
|
[10] |
姜艳丽, 唐鑫, 高凡. 冰晶石-氧化铝熔盐的分子动力学研究[J]. 原子与分子物理学报, 2016, 33(2): 325-9. https://www.cnki.com.cn/Article/CJFDTOTAL-YZYF201602024.htm
|
[11] |
贺国达, 汤睿, 段学志, 等. LiF-BeF2熔盐微观结构及扩散特性的分子动力学研究[J]. 化工学报, 2020, 71(8): 3565-74. https://www.cnki.com.cn/Article/CJFDTOTAL-HGSZ202008018.htm
|
[12] |
陈应斌, 陈金辉, 博胡, 等. KF-NaF-AlF3体系结构性质的分子动力学模拟[J]. 冶金工程, 2021, 8(2): 67-75. https://www.cnki.com.cn/Article/CJFDTOTAL-KMLG201503002.htm
|
[13] |
CHRENKOVÁ M, DANĚK V, SILNý A, et al. Density and viscosity of the (LiF-NaF-KF)eut-KBF4-B2O3 melts[J]. Journal of Molecular Liquids, 2003, 102(1/2/3): 213-226.
|
[14] |
TOERKLEP K, OEYE H A. Viscosity of the eutectic lithium fluoride-sodium fluoride-potassium fluoride melt (FLINAK)[J]. Journal of Chemical & Engineering Data, 2002, 25(1): 16-17.
|
[15] |
CIBULKOVÁ J, CHRENKOVÁ M, VASILJEV R, et al. Density and viscosity of the (LiF+NaF+KF)eut(1)+K2TaF7(2)+Ta2O5 (3) melts[J]. Journal of Chemical & Engineering Data, 2006, 51(3): 984-987.
|
[16] |
JANZ G J. Thermodynamic and transport properties for molten salts: correlation equations for critically evaluated density, surface tension, electrical conductance, and viscosity data[J]. Journal of Physical Chemical Reference Data, 1988, 17(5): 17.
|
[17] |
AN X, CHENG J, SU T, et al. Determination of thermal physical properties of alkali fluoride/carbonate eutectic molten salt[J]. AIP Conference Proceedings, 2017, 1850(1): 1-7.
|
[18] |
PRONK S, PALL S, SCHULZ R, et al. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit[J]. Bioinformatics, 2013, 29(7): 845-854. doi: 10.1093/bioinformatics/btt055
|
[19] |
WALZ M M, GHAHREMANPOUR M M, VAN MAAREN P J, et al. Phase-transferable force field for alkali halides[J]. Journal Chemical Theory Comput, 2018, 14(11): 5933-5948. doi: 10.1021/acs.jctc.8b00507
|
[20] |
WANG L P, CHEN J, VAN VOORHIS T. Systematic parametrization of polarizable force fields from quantum chemistry data[J]. Journal Chemical Theory Comput, 2013, 9(1): 452-460. doi: 10.1021/ct300826t
|
[21] |
POPESCU A M, CONSTANTIN V. Viscosity of alkali fluoride ionic melts at temperatures up to 373.15 K above melting points[J]. Chemical Engineering Communications, 2014, 202(12): 1703-1710.
|
[22] |
EJIMA T, SATO Y, YAEGASHI S, et al. Viscosity of molten alkali fluorides[J]. Journal of the Japan Institute of Metals, 1987, 51(4): 328-337.
|
[23] |
BROCKNER W, TøRKLEP K, øYE H A. Viscosity of sodium fluoride-aluminium fluoride melt mixtures[J]. Berichte der Bunsengesellschaft für Physikalische Chemie, 1979, 83(1): 12-19.
|