Acta Metall Sin  1991, Vol. 27 Issue (5): 144-147    DOI:

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THERMODYNAMICS OF COMPUTERIZED SIMULATION OF MOLTEN LIF-KF SOLUTION BY MONTE CARLO METHOD

XU Chi;JIANG Naixiong;CHEN Nianyi Shanghai Institute of Metallurgy; Academia sinica

XU Chi;JIANG Naixiong;CHEN Nianyi Shanghai Institute of Metallurgy; Academia sinica. THERMODYNAMICS OF COMPUTERIZED SIMULATION OF MOLTEN LIF-KF SOLUTION BY MONTE CARLO METHOD. Acta Metall Sin, 1991, 27(5): 144-147.

Abstract References Related Articles Recommended Metrics Download:  PDF(318KB)  Export:  BibTeX | EndNote (RIS)       Abstract  The structure and behaviour of LiF-KF solution, as atypical common-anion system, has been simulated by Monte Carlo method. The calculation of partial radial distribution function of ions, heat of mixing and potential energy distribution shows that the average distance between Li~+ and F~- ions will significantly narrow after molten LiF and KF mix up. This is very similar to the lean-on-one-side effect in moten LiF-KCl solution. The calcu1ated heat of mixing is in fair agreement with the measured one. The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations, the decrease of the attraction energy between cations and anions, and the decrease of the repulsion energy between anions. Key words:  molten salt      Monte Carlo method      computerized simulation      thermodynamic property      Received:  18 May 1991      Service E-mail this article Add to citation manager E-mail Alert RSS （） Articles by authors URL:  https://www.ams.org.cn/EN/     OR     https://www.ams.org.cn/EN/Y1991/V27/I5/144 1 Asaro R J, Adv Appl Mech, 1983; 26: 1 2 Tvergaard V, Needlman A, Lo K K. J Mech Phys Solids, 1981; 29: 115 3 李国深.力学学报，1988; 20: 305 4 Embury J D, Korbel A, Raghunathan V S, Rys J, Acta Metall, 1984; 32: 1883 5 姚可夫.清华大学博士学位论文，1989 6 姚可夫，唐酒泳，陈南平.金属学报，1989; 25: A213 7 Gardner R N, Wilsdorf H G F, Metall Trans, 1980; 11A: 659 8 Majumdat B S, Butns S J, Acta Metall, 1981; 29: 579 9 Lin I-H, Thomson R. Acta Metall, 1986; 34: 187 10 姚可夫，唐酒泳，陈南平.第五届全国断裂学术会议文集，桂林，1988: 1564 11 Ohr S M, Mater Sci Eng, 1985; 72: 1 12 Pichl W, Schoeck G, Scr Metall, 1990; 24: 13 [1] HUANGFU Hao, WANG Zilong, LIU Yongli, MENG Fanshun, SONG Jiupeng, QI Yang. A First Principles Investigation of W1 - x Ir x Alloys: Structural, Electronic, Mechanical, and Thermal Properties[J]. 金属学报, 2022, 58(2): 231-240. [2] Ronghua CUI, Xinyu WANG, Zhengchao DONG, Chonggui ZHONG. First Principles Study on Elastic and Thermodynamic Properties of Mg1-xZnx Alloys[J]. 金属学报, 2017, 53(9): 1133-1139. [3] Tao LIU,Jiasheng DONG,Guang XIE,Yisheng WANG,Hui LI,Zhijun LI,Xingtai ZHOU,Langhong LOU. CORROSION BEHAVIOR OF GH3535 SUPERALLOY IN FLiNaK MOLTEN SALT[J]. 金属学报, 2015, 51(9): 1059-1066. [4] YAN Yongde, YANG Xiaonan, ZHANG Milin, WANG Li, XUE Yun, ZHANG Zhijian. STUDY ON PREPARATION OF Al-Li-Gd ALLOYS BY ELECTROCHEMICAL CODEPOSITION FROM CHLORIDE MELTS[J]. 金属学报, 2014, 50(8): 989-994. [5] GONG Wenbiao, LI Renwei, LI Yupeng,SUN Daqian, WANG Wenquan. STABILIZATION AND CORROSION RESISTANCE UNDER HIGH-TEMPERATURE OF NANOSTRUCTURED CeO2/ZrO2-Y2O3 THERMAL BARRIER COATING[J]. 金属学报, 2013, 49(5): 593-598. [6] ZHANG Xudong, WANG Shaoqing. FIRST-PRINCIPLES INVESTIGATION OF THE THERMODYNAMICS PROPERTIES OF Al3Sc AND Al3Zr INTERMETALLICS[J]. 金属学报, 2013, 29(4): 501-505. [7] WANG Shulan CHEN Xiaoyun. STUDY ON THE ELECTRO–REFINING SILICON IN MOLTEN SALT CaCl2–NaCl–CaO[J]. 金属学报, 2012, 48(2): 183-186. [8] PENG Haijian JIN Jun LI Defu HU Jie. CORROSION BEHAVIORS OF Ni-Cr-Mo CORROSION RESISTENCE ALLOYS IN CaCl2-CaF2 MOLTEN SALT[J]. 金属学报, 2011, 47(9): 1195-1199. [9] KONG Fanrong ZHANG Haiou WANG Guilan. MULTISCALE NUMERICAL SIMULATIONS OF HEAT AND MASS TRANSFER AND GRAIN GROWTH DURING PLASMA DEPOSITION MANUFACTURING[J]. 金属学报, 2009, 45(4): 415-421. [10] LV Jiaxin; ZHENG Lei; ZHANG Maicang; DONG Jianxin. CORROSION BEHAVIOR OF NICKEL BASE ALLOY FGH95 IN MOLTEN NaCl–Na2SO4[J]. 金属学报, 2009, 45(2): 204-210. [11] ;. Investigation on Preparation of Tb2Fe17 by Direct Electrochemical Reduction of Tb4O7-Fe2O3 Pellet in Molten Calcium Chloride[J]. 金属学报, 2008, 44(7): 859-862 . [12] ;. EXPERIMENTAL RESEARCH OF PREPARATION OF CaB6 BY MOLTEN SALT ELECTROLYSIS METHOD[J]. 金属学报, 2008, 44(10): 1243-1246 . [13] . PREPARATION OF TANTALUM BY ELECTRO-DEOXIDATION IN A CACL2-NACL MELT[J]. 金属学报, 2006, 42(3): 285-289 . [14] CHANG Haiwei; CHEN Tao; LEI Mingkai. A Mathematical Model on Coalescence and Removal of Inclusion Particles in Continuous Casting Tundish[J]. 金属学报, 2004, 40(6): 629-. [15] ZHANG Jian(Metallurgical Engineering School; University of Science and Technology Beijing; Beijing 100083). CONSISTENCY(OR SIMILARITY) OF THERMODYNAMIC PROPERTIES OF METALLURGICAL MELTS WITH THEIR PHASE DIAGRAMS[J]. 金属学报, 1998, 34(7): 742-752. No Suggested Reading articles found! Viewed Full text Abstract Cited   Shared      Discussed