Numerical evaluation of second and third virial coefficients of some inert gases via classical cluster expansion |
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Authors: | Artit Hutem Sutee Boonchui |
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Institution: | 1. Forum for Theoretical and Computational Physics, Department of Physics, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand
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Abstract: | In this project we evaluate second virial coefficient of some inert gases via classical cluster expansion, assuming each atomic pair interaction is of Lennard-Jones type. We also try to numerically evaluate the third virial coefficient of Argon gas based on bipolar-coordinate integration (Mas et?al. in J Chem Phys 10:6694, 1999), assuming the same Lennard-Jones potential as before. The second virial coefficient (Vega et?al. in Phys Chem Chem Phys 4:3000–3007, 2002) calculated from our model are compatible to the experimental data 19] The temperature at which B 2(T) → 0 is called the Boyle’s temperature T B (Vega et?al. in Phys Chem Chem Phys 4:3000–3007, 2002) for the Lennard-Jines (12-6) potential. For the second virial coefficient of He, we obtain the Boyle’s temperature as follow: T B ?=?34.9312438964844 (K) B 2(T) = 9.82958 × 10?6 (cm3/mol). |
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