Self-Diffusion Coefficients in Nanoporous Materials from Entropy Scaling

Authors

  • Tiong-Wei Teh Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Germany
  • Rolf Stierle Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Germany
  • Niels Hansen Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Germany
  • Joachim Gross Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Germany

DOI:

https://doi.org/10.62721/diffusion-fundamentals.39.1270

Keywords:

diffusion

References

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M. Hopp, J. Mele, J. Gross, Self-diffusion coefficients from entropy scaling using the PCP-SAFT equation of state, Ind. & Eng. Chem. Res., 57(38), (2018) 12942-12950. https://doi.org/10.1021/acs.iecr.8b02406

S. Chapman, T.G. Cowling, The mathematical theory of non-uniform gases: an account of the kinetic theory of viscosity, thermal conduction and diffusion in gases. Cambridge university press, 1990.

B. Bursik, R. Stierle, A. Schlaich, P. Rehner, J. Gross, Viscosities of inhomogeneous systems from generalized entropy scaling. Phys. Fluids, 36(4), (2024). https://doi.org/10.1063/5.0189902

T. W. Teh, P. Franz, R. Stierle, N. Hansen, J. Gross, Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo simulations, Molecular Physics, (2025) e2471510. https://doi.org/10.1080/00268976.2025.2471510

M. Knudsen, Eine Revision der Gleichgewichtsbedingung der Gase. Thermische Molekularströmung. Ann. Phys., 336(1), (1909) 205-229. https://doi.org/10.1002/andp.19093360110

Y. Liu, J. Fu, J.Wu, High-throughput prediction of the hydration free energies of small molecules from a classical density functional theory. J. Phys. Chem. Lett., 4(21), (2013) 3687-3691. https://doi.org/10.1021/jz401787p

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Published

2025-11-03

How to Cite

[1]
T.-W. Teh, R. Stierle, N. Hansen, and J. Gross, “Self-Diffusion Coefficients in Nanoporous Materials from Entropy Scaling”, diffus. fundam., vol. 39, Nov. 2025, doi: 10.62721/diffusion-fundamentals.39.1270.