Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential

Perko, Joseph R.; Xantheas, Sotiris S.

doi:10.1063/5.0244532

Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential

Journal Article · Tue Jan 14 23:00:00 EST 2025 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0244532· OSTI ID:2565285

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Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)

Here we report the values of the collision integrals, needed for the calculation of the macroscopic transport properties such as viscosity (η) and diffusion coefficient (D) of gases within the Chapman–Enskog kinetic gas theory, for a generalized Lennard-Jones potential (gLJ), a more general potential with an adjustable long range 1/r dependence that can describe a wide range of intermolecular interactions.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Office of Workforce Development for Teachers & Scientists (WDTS); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2565285

Report Number(s):: PNNL-SA--205089

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 3 Vol. 162; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Collision integrals within the Chapman–Enskog theory for a generalized Lennard-Jones potential

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