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Stokes-Einstein relations for a square-well fluid

机译:平方井流体的斯托克斯-爱因斯坦关系

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A Stokes-Einstein relation,relating the shear viscosity 77 to the self-diffusion coefficient D,is constructed for a classical fluid subject to an effective two-body intermolecular force,derived from a square-well potential,undergoing dynamics as described by a Smoluchowski equation for pair diffusion.The time correlation functions for eta and 1/D are separated into contributions from delta function,hard-sphere forces,and from delta function,square-well soft forces.Furthermore,D is separated into its two- and three-body time correlation functions,and 77 into its two- to four-body terms.D shows activated diffusion,as in Arrhenius behavior,and on the level of two-body dynamics,the D 77 product adheres to the Stokes-Einstein relation,subject to a small correction for potential softness.Three-body time correlation functions increase D,whereas three- and four-body correlation functions in 77 are partially offsetting.The deviation of Deta product from the Stokes-Einstein law arises from the three-body time correlations functions in D.
机译:建立了斯托克斯-爱因斯坦关系,将剪切粘度77与自扩散系数D关联起来,用于经典流体,该流体受到有效的两分子间分子力的作用,该分子力来自方阱势,并经历了Smoluchowski描述的动力学将eta和1 / D的时间相关函数分为δ函数,硬球力和delta函数,方阱软力的贡献。此外,D分为其二和三体时间相关函数,将77分解为2到4体项。D显示激活扩散,如在Arrhenius行为中那样,并且在两体动力学的水平上,D 77乘积遵循Stokes-Einstein关系,三体时间相关函数增加D,而77中的三体和四体相关函数被部分抵消.Deta乘积与Stokes-Einstein定律的偏差由t引起D中的三体时间相关函数。

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