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一种新的二元Lennard-Jones链式流体互扩散系数计算公式 被引量:1

A New Correlation on Predicting Mutual Diffusion Coefficient of Binary Lennard-Jones Chain Fluid
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摘要 在前期工作提出的Lennard-Jones链式(LJC)流体自扩散系数计算公式的基础上,将计算平衡性质物性参数的范得瓦尔斯混合法则尝试应用于迁移性质的计算中,提出了一种新的计算二元LJC流体互扩散系数的计算公式.公式不包含二元可调参数,物理意义更加明确.通过不同温度、组分范围的12对二元LJC流体的270个实验点对新的方法进行了验证,新公式计算结果与实验值的平均绝对偏差为6.98%.与其他计算方法的比较结果显示,该计算方法具有更高的精度. On the basis of the equation for predicting self-diffusion coefficients of Lennard Jones chain fluid proposed in our previous work,the van der Waals mixing rule to calculate the equilibrium properties is adopted to the calculation of the transport properties in this paper.A new correlation to predict the mutual diffusion coefficient of binary LJC fluid is proposed.The present correlation has no binary adjusted parameter and its physical meaning is more explicit.The calculation results agree with the experimental data of 12 binary LJC systems over the wide ranges of temperature and composition with an average absolute deviation of 6.98%,indicating the higher accuracy and effectiveness of the new equation.
出处 《西安交通大学学报》 EI CAS CSCD 北大核心 2010年第3期1-5,共5页 Journal of Xi'an Jiaotong University
基金 国家自然科学基金资助项目(50676069 50836004)
关键词 二元液相流体 互扩散系数 Lennard-Jones链式流体 范得瓦尔斯混合法则 binary liquid system mutual diffusion coefficient Lennard-Jones chain fluid van der Waals mixing rule
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  • 1CUSSLER E L. Diffusion: mass transfer in fluid system [M]. Cambridge, UK: Cambridge University Press, 2002.
  • 2WILKE C R, CHANG P. Correlation of diffusion coefficients in dilute solutions [J]. AIChE Journal, 1955, 1(2):264-270.
  • 3REID R C, PRAUSNITZ J M, POLING B E. The properties of gases and liquids [M]. 4th edition. Singapore: McGraw-Hill, 1988.
  • 4ASSAEL M J, DYMOND J H, PATTERSON P M. Correlation and prediction of dense fluid transport coefficients. :a note on diffusion [J]. International Journal of Thermophysics, 1992, 13(4) :729-733.
  • 5OCTAVIO S L, LGNACIO M, CONSUELO P, et al. On predicting self-diffusion coefficient in fluids [J]. Fluid Phase Equilibria, 2008, 269: 80-92.
  • 6PERTLER M, BLASS E, STEVENS G W. Fickian diffusion in binary mixtures that form two liquid phases [J]. AIChE Journal, 1995, 42(4): 910-920.
  • 7DARKEN L S, AIME M. Diffusion, mobility and their interrelation through free energy in binary metallic systems [J]. Trans Am Inst Mining Met Eng, 1948, 175: 184-201.
  • 8VIGNES A. Diffusion in binary solutions, variation of diffusion coefficient with composition [J]. Ind Eng Chem Fundamental, 1966, 5 (2) : 189-199.
  • 9RUCKENSTEIN E, LIU H. Self-diffusion in gases and liquids [J]. Industrial and Engineering Chemistry Research, 1997, 36(9): 3927-3936.
  • 10YU Y X, GAO G H. Self-diffusion coefficient equation for polyatomic fluid [J]. Fluid Phase Equilibria, 1999, 166(1) : 111-124.

二级参考文献11

  • 1CHAPMAN S, COWLING T G. The mathematical theory of non uniform gases [M]. Cambridge, UK: Cambridge University Press, 1970.
  • 2KINCAIDJM, TURF, HAROML. A test of the modified Enskog theory for self-diffusion[J]. Molecular Physics, 1994, 81(4): 837-850.
  • 3HARRIS K R. Correlation of dense-fluid self-diffusion and shear viscosity coefficients[J]. High Temperatures-High Pressures, 1993, 25(4): 359-366.
  • 4WOODCOCK L V. Diffusivity of the hard-sphere model in the region of fluid metastability [J]. Annals of the New York Academy of Sciences, 1981, 47(16):1129-1132.
  • 5ERPENBECK J J, WOOD WW. Self-diffusion coeffi cientfor the hard-sphere fluid [J]. Physical Review A, 1991, 43:4254-4263.
  • 6ZABALOY M S, VASQUEZ V R. Description of self- diffusion coefficients of gases, liquids and fluids at high pressure based on molecular simulation data[J]. Fluid Phase Equilibria, 2006, 242:43-56.
  • 7SPEEDY R J, PRIELMEIER F X, VARDAG T, et al. Diffusion in simple fluids[J].Molecular Physics, 1989, 66(3): 577-590.
  • 8RUCKENSTEIN E, LIU H. Self-dittusion in gases and liquids[J]. Industrial and Engineering Chemistry Research, 1997, 36(9): 3927-3936.
  • 9YU Y X, GAO G H. Self-diffusion coefficient equation for polyatomic fluid [J]. Fluid Phase Equilibria, 1999, 166(1): 111-124.
  • 10REIS R A, SILVA F C, NOBREGA R, et al. Molecular dynamics simulation data of self-diffusion coefficient for Lennard-Jones chain fluids [J]. Fluid Phase Equilibria, 2004, 221(1/2): 25-33.

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