Transport coefficients of multicomponent mixtures of noble gases based on ab initio potentials: Diffusion coefficients and thermal diffusion factors

2020 ◽  
Vol 32 (9) ◽  
pp. 097110
Author(s):  
Felix Sharipov ◽  
Victor J. Benites
Keyword(s):  
Ab Initio ◽  
Thermal Diffusion ◽  
Diffusion Coefficients ◽  
Noble Gases ◽  
Transport Coefficients ◽  
Multicomponent Mixtures ◽  
Ab Initio Potentials

Transport coefficients of isotopic mixtures of noble gases based on ab initio potentials

2021 ◽  
Author(s):  
Felix Sharipov ◽  
Victor Juan Benites
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Thermal Diffusion ◽  
Noble Gases ◽  
Transport Coefficients ◽  
Isotopic Compositions ◽  
Ab Initio Potentials

The transport coefficients such as viscosity, thermal conductivity, diffusion and thermal diffusion of neon, argon, krypton, and xenon taking into consideration their real isotopic compositions are computed for a wide...

scholarly journals Thermodynamic Theory of Diffusion and Thermodiffusion Coefficients in Multicomponent Mixtures

2020 ◽  
Vol 45 (4) ◽  
pp. 343-372
Author(s):  
Alexander A. Shapiro
Keyword(s):  
Diffusion Coefficients ◽  
Symmetry Property ◽  
Transport Coefficients ◽  
Thermodynamic Theory ◽  
Statistical Fluctuation ◽  
Multicomponent Mixtures ◽  
Practical Applications ◽  
Chemical Potentials ◽  
Onsager Symmetry ◽  
Phenomenological Coefficients

AbstractTransport coefficients (like diffusion and thermodiffusion) are the key parameters to be studied in non-equilibrium thermodynamics. For practical applications, it is important to predict them based on the thermodynamic parameters of a mixture under study: pressure, temperature, composition, and thermodynamic functions, like enthalpies or chemical potentials. The current study develops a thermodynamic framework for such prediction. The theory is based on a system of physically interpretable postulates; in this respect, it is better grounded theoretically than the previously suggested models for diffusion and thermodiffusion coefficients. In fact, it translates onto the thermodynamic language of the previously developed model for the transport properties based on the statistical fluctuation theory. Many statements of the previously developed model are simplified and amplified, and the derivation is made transparent and ready for further applications. The n(n+1)/2 independent Onsager coefficients are reduced to 2n+1 determining parameters: the emission functions and the penetration lengths. The transport coefficients are expressed in terms of these parameters. These expressions are much simplified based on the Onsager symmetry property for the phenomenological coefficients. The model is verified by comparison with the known expressions for the diffusion coefficients that were previously considered in the literature.

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