Self-diffusion coefficient as a function of the thermodynamic factor

被引:0
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作者
Puelles, M. Sampayo [1 ]
Hoyuelos, M. [1 ]
机构
[1] Univ Nacl Mar del Plata, Fac Ciencias Exactas & Nat, Dept Fis, Inst Invest Fis Mar Plata IFIMAR CONICET, Dean Funes 3350, RA-7600 Mar Del Plata, Argentina
关键词
EQUATION-OF-STATE; UNIVERSAL SCALING LAW; TRANSPORT-COEFFICIENTS; LENNARD-JONES; DENSE FLUIDS; HARD-SPHERE; LIQUIDS; VISCOSITY; ENERGY; VAN;
D O I
10.1103/PhysRevE.110.014126
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Much effort has been put into developing theories for dense fluids; as a result of these efforts many theories work for a certain type of particle or in a certain concentration regime. Rosenfeld proposed a dependence of the self-diffusion coefficient on the excess entropy. Our proposal is similar to Rosenfeld's in that it also attempts to describe diffusion in terms of a thermodynamic function but, instead of the excess entropy, we use the thermodynamic factor or the excess chemical potential. Simulations were taken for hard spheres and our model was fitted with two free parameters. Simulations were then carried out for a Lennard-Jones gas and our model correctly described the new data with the value of the free parameters that we had obtained for hard spheres. This is a feature of our model that we wish to emphasize, since the usual situation is that parameters have to be readjusted for different interaction potentials. An experimental xenon self-diffusion data set was used as an example of where the model can be applied, especially in the high-density regime.
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页数:6
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