Article

1998 ◽  
Vol 76 (4) ◽  
pp. 483-489 ◽  
Author(s):  
Sean AC McDowell ◽  
W J Meath
Keyword(s):  
Average Energy ◽  
Rare Gases ◽  
Dispersion Energy ◽  
Interacting Species ◽  
Energy Approximation ◽  
Three Body

Average energy approximations for the anisotropic triple-dipole dispersion energy coefficients are tested using reliable results for these coefficients, which are available for all interactions involving the rare gases, H2, N2, CO, O2, and NO. The original average energy approximation does not reproduce any of the anisotropic coefficients to within their estimated uncertainties. More recently derived average energy approximation formulae, requiring the isotropic and anisotropic polarizabilities and average energies for the interacting species as input, reproduce all but 69 of the 680 isotropic and anisotropic coefficients considered to within their estimated uncertainties.Key words: nonadditive, three-body interactions, dispersion energies.

scholarly journals Anisotropic and isotropic triple-dipole dispersion energy coefficients for all three-body interactions involving He, Ne, Ar, Kr, Xe, H2, N2, and CO

1996 ◽  
Vol 74 (6) ◽  
pp. 1180-1186 ◽  
Author(s):  
Sean A.C. McDowell ◽  
Ashok Kumar ◽  
William J. Meath
Keyword(s):  
Input Data ◽  
Average Energy ◽  
Interaction Energies ◽  
Tabular Form ◽  
Rare Gases ◽  
Dispersion Energy ◽  
Interacting Species ◽  
Energy Approximation ◽  
Dipole Oscillator ◽  
Three Body

Formulae for the computation of isotropic and anisotropic dipolar dispersion energy coefficients, for two-body and three-body interactions involving H2, N2, CO, and the rare gases, are presented in an average energy approximation. These coefficients are computed to within 1% of the reliable values for these coefficients, which are obtained by using the relevant dipole oscillator strength distributions, with the exception of a few that are recorded in tabular form. The input data required for these formulae are the isotropic and anisotropic polarizabilities and average energies for the interacting species. The results provide the first reliable anisotropic triple-dipole dispersion energy coefficients for interactions involving molecules. Key words: non-additive, anisotropic, interaction energies, triple-dipole dispersion energies.

scholarly journals The long-range non-additive three-body dispersion interactions for the rare gases, alkali, and alkaline-earth atoms

2012 ◽  
Vol 136 (10) ◽  
pp. 104104 ◽  
Author(s):  
Li-Yan Tang ◽  
Zong-Chao Yan ◽  
Ting-Yun Shi ◽  
James F. Babb ◽  
J. Mitroy
Keyword(s):  
Long Range ◽  
Alkaline Earth ◽  
Rare Gases ◽  
Dispersion Interactions ◽  
Three Body

Three body conversion reactions in pure rare gases

1972 ◽  
Vol 5 (11) ◽  
pp. 2134-2142 ◽  
Author(s):  
D Smith ◽  
A G Dean ◽  
I C Plumb
Keyword(s):  
Rare Gases ◽  
Three Body

Three-body-exchange interaction in dense rare gases

1988 ◽  
Vol 37 (10) ◽  
pp. 5432-5439 ◽  
Author(s):  
P. Loubeyre
Keyword(s):  
Exchange Interaction ◽  
Rare Gases ◽  
Three Body

Intracrystalline sorption by synthetic mordenites

1964 ◽  
Vol 280 (1383) ◽  
pp. 466-485 ◽  
Keyword(s):  
Gas Hydrates ◽  
Molecular Sieve ◽  
Equilibrium Constants ◽  
Stacking Faults ◽  
Henry's Law ◽  
Rare Gases ◽  
Dispersion Energy ◽  
Henry’S Law ◽  
Lennard Jones ◽  
Permanent Gases

The inclusion of a number of representative molecules (He, Ne, Ar, Kr, Xe; H 2 , O 2 , N 2 ; n -C 4 H 10 , i -C 4 H 10 , C 6 H 6 , neo-C 5 H 12 ) has been studied for Na- and H- forms of synthetic mor-denite. Filling of the intracrystalline volume in Na-mordenite is limited to some of the permanent gases, and at 25 °C is very incomplete for n -C 4 H 10 . In contrast, in H-mordenite the main channels are nearly filled by molecules as large as benzene and neo-pentane. However, sorption in the sets of small cavities or pockets which line the main channels in mordenite is limited to molecules smaller than n -butane. Heats of inclusion have been determined as functions of amounts sorbed for the inert and the permanent gases. Calculations have been made of heats of inclusion of the rare gases in the small cavities, and compared with observed initial heats in H-mordenite. As in the case of gas hydrates (Barrer & Ruzicka 1962) the London (1930) approximation to the dispersion energy, combined with the Lennard-Jones 12:6 potential, gives better results than the approximation of Kirkwood (1932) and Muller (1936). Estimates have also been made of equilibrium constants of rare gases in the small cavities, which give a reasonable correlation with the measured Henry’s law adsorption constants. Conclusions are drawn from certain of the results about the separability of intracrystalline and inter-particle sorption. There is also reason to believe that stacking faults are not the cause of the molecular sieve character shown by the synthetic Na-mordenite.

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