High-Temperature Collision Integrals for m-6-8 and Hulburt–Hirschfelder Potentials

Buchowiecki, Marcin

doi:10.1007/s10765-021-02968-w

Cited by 10 publications

(17 citation statements)

References 37 publications

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“…The Hulburt-Hirschfelder potential U * HH (r * ) has three parameters , , and . It is used vividly for high temperature applications [2,17]. The Tang-Toennies potential U * TT (r * ) has only one parameter b to adjust, the coefficients C * 2n being the reduced dispersion interaction energy constants.…”

Section: Theorymentioning

confidence: 99%

“…We have made the observation that the default values of the Mathematica routines are able to handle automatically nearly all of the difficulties which occur during the course of the calculation of Ω ( ,s) * (T * ) . The use of Mathematica routines has been described in the literature before [17,44], but was hardly used up to now. Our code is given in the Appendix and is much simpler than the few other codes described in the (13)…”

Section: General Codesmentioning

confidence: 99%

“…We conclude from an inspection of Tables 1 and 2 that the routines used in this work yield trustworthy results of the reduced collision integrals. However, due to its superior accuracy, our Mathematica code was used for all single-point calculations for the Lennard-Jones (n-m), Tang-Toennies [35], and Hulburt-Hirschfelder potential [2,17]. The Tang-Toennies potential is used for all neat noble gases from helium to radon.…”

Section: General Codesmentioning

confidence: 99%

“…The Hulburt-Hirschfelder potential has been applied to argon and the (H ⋯ He)-pair. All potential parameters can be found in the corresponding literature [2,17,35].…”

Section: General Codesmentioning

confidence: 99%

“…13, potential. The parameters of the HH potential are taken from Buchowiecki [17] (Ar) and Bruno et al [2] (H ⋯ He), the TT parameters are given by Tang and Toennies [35] Fig. 7 Reduced collision integrals Ω (3,3) * calculated with the Lennard-Jones (n-m), Eq.…”

Section: Ljnmentioning

confidence: 99%

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Mutual Intersection Points of Reduced Collision Integrals for Lennard–Jones (n-m), Hulburt–Hirschfelder, and Tang–Toennies Potential Energy Functions

Hohm

2022

Int J Thermophys

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We investigate the reduced collision integrals $$\Omega ^{(\ell ,s)*}(T^*)$$ Ω ( ℓ , s ) ∗ ( T ∗ ) for $$1 \le \ell \le 4$$ 1 ≤ ℓ ≤ 4 , $$\ell \le s \le 7$$ ℓ ≤ s ≤ 7 and $$\ell + s \le 8$$ ℓ + s ≤ 8 for several isotropic potential energy functions: the Lennard–Jones $$(n-m)$$ ( n - m ) , the Hulburt–Hirschfelder, and Tang–Toennies potential. It is observed that for a given $$\ell$$ ℓ and s, $$\Omega ^{(\ell ,s)*}(T^*)$$ Ω ( ℓ , s ) ∗ ( T ∗ ) shows a mutual intersection region at a reduced temperature $$0.39< T^*=T^*_{\ell s} < 2.22$$ 0.39 < T ∗ = T ℓ s ∗ < 2.22 which is nearly independent of the potential energy function used.

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Section: Theorymentioning

confidence: 99%

Section: General Codesmentioning

confidence: 99%

Section: General Codesmentioning

confidence: 99%

“…The Hulburt-Hirschfelder potential has been applied to argon and the (H ⋯ He)-pair. All potential parameters can be found in the corresponding literature [2,17,35].…”

Section: General Codesmentioning

confidence: 99%

Section: Ljnmentioning

confidence: 99%

See 3 more Smart Citations

Mutual Intersection Points of Reduced Collision Integrals for Lennard–Jones (n-m), Hulburt–Hirschfelder, and Tang–Toennies Potential Energy Functions

Hohm

2022

Int J Thermophys

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Collision Integrals for Nitrogen and Hydrogen Ionized Gas: The Exact Values and Assessment of Approximations

Buchowiecki

Szabó

2022

Plasma Chem Plasma Process

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Collision integrals are calculated for the H–N$$^{+}$$ + , N–H$$^{+}$$ + , N$$^{2+}$$ 2 + –H, and N$$^{+}$$ + –H$$^{+}$$ + interactions in the temperature range of 1000–60,000 K. The resulting collision integrals were fitted to simple functional forms. The applicability of commonly used approximations for calculation of the collision integrals is verified. Those approximations are simplification of exact potentials (especially the repulsive ones), use of polarizability potential for atom–ion interaction, and use of Coulomb screened potential for ion–ion interaction. The reported collision integrals are based on the ab initio calculated points of the potential energy curves, so that the error of fitting the points with analytical potential energy function is not present.

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Collision integral of nitrogen and oxygen and application to artificially triggered lightning

Shen

Wang

et al. 2023

Chemical Physics Letters

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High-Temperature Collision Integrals for m-6-8 and Hulburt–Hirschfelder Potentials

Cited by 10 publications

References 37 publications

Mutual Intersection Points of Reduced Collision Integrals for Lennard–Jones (n-m), Hulburt–Hirschfelder, and Tang–Toennies Potential Energy Functions

Mutual Intersection Points of Reduced Collision Integrals for Lennard–Jones (n-m), Hulburt–Hirschfelder, and Tang–Toennies Potential Energy Functions

Collision Integrals for Nitrogen and Hydrogen Ionized Gas: The Exact Values and Assessment of Approximations

Collision integral of nitrogen and oxygen and application to artificially triggered lightning

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