LJD = Lennard-Jones-Devonshire

CA 55, 24011(1961) (Equation of state of the products in. RDX detonation) Mj) W. Fickett, "Detonation Properties of Condensed Explosives Calculated with an Equation of State Based on Intermo-lecular Potentials , Los Alamos Scientific Laboratory Report LA-2712(1962), Los Alamos, New Mexico, pp 9-10 (Model of von Neumann-Zel dovich), pp 153-66 [Comparison of KW (Kistiakowsky-Wilson) equation of state with those of LJD (Lennard-Jones-Devonshire) and Constant-/ ] M2) C.L. 

Detonation, Lennard-Jones-Devonshire Theory. See Detonation, Free Volume Theory of LJD (Lennard-Jones-Devonshire)... 

Fur die Berechnung des Detonationsdruckes, sowie der Geschwindig-keit der ebenen Detonationswelle nach der - Chapman-Jouget Theo-rie, wurden wahrend der letzten funfzig Jahre hauptsachlich die Becker-Kistiakowsky-Wilson (BKW)-, die Lennard-Jones-Devonshire (LJD)- und die Jacobs-Cowperthwaite-Zwisler (JCZ)-Zustandsglei-chung verwendet. 

Lennard-Jones Devonshire (LJD) Equations of State. For gases of low density, the following equation of LJD (Ref lb, p 55) applies ... 

Since the Eq must describe states ranging from the ideal gas to the dense compressed state, the G factor must reduce to the virial expansion at low density and must approach the value determined by the repulsive potential at the high density limit. Dr. Jacobs took a semiempirical approach to this problem and used the results of Monte Carlo (MC) and Lennard-Jones Devonshire (LJD) calculations to determine unknown parameters in theoretical expressions for p0(v) and G(v,T). ... 

Next to the - Chapman-Jouget theory, during the last 50 years, the principal methods of calculating detonation pressure and the velocity of flat detonation waves have been the Becker-Kistiakowsky-Wilson (BKW), the Lennard-Jones-Devonshire (LJD) and the Jacobs-Cow-perthwaite-Zwisler (JCZ) equations of state. 

Except for oxygen-balanced expls, the computation of detonation products depends strongly on the choice of the equation of state (EOS) for these products. In the US the BKW EOS (see Vol 4, D272-R) has been favored and most of the computed product compns below will be based on it. Some of these will be compared with the relatively few calcns based on a Lennard-Jones-Devonshire (UD) EOS (see Vol 4, D287-L) CJ state product compns calcd via the BKW EOS are compared with compns computed with LJD types of EOS in Tables 2—4. For PETN (Table 2) an early variant of the LJD EOS (Ref 1) shows no solid C in the products and somewhat more CO than the BKW computation. Note that for PETN both EOS give product compn that show relatively little variation with p q, the initial density of the expl. This is not the case for RDX and TNT (Tables 3 4) where a change in Pq results in substantial changes in product compn. 

The simplest treatment of the melting of inert gas crystals is that due to Lennard-Jones and Devonshire (LJD) who regarded the mechanism of fusion as a positional order-disorder phenomenon. They postulated that... 

An ab initio potential for the methane-water bimolecular system has been developed for use in modeling methane hydrates and in order to evaluate currently used statistical thermodynamic models. In this paper, an introduction to gas hydrates is first given, and the problem with the Lennard-Jones and Devonshire (LJD) approximation, typically used for modeling hydrates, is described. Second, the methodologies for generating the ab initio potential energy surface are described and results discussed. Third,... 

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