Kamlet-Jacobs method

The basic equations of the Kamlet-Jacobs method for CHNO expls with packing density p0 >1 are ... 

This method assumes a different hierarchy of formation of product species from the detonation reaction of a CHNO explosive than the hierarchy used earlier, where CO is assumed to be formed preferentially prior to the formation of CO2. Here, with the Kamlet-Jacobs method, CO2 is assumed to be formed as the only oxidation product of carbon. As with the previous hierarchy assumptions, water is still formed first. The generalized reaction for an underoxidized explosive can be written as ... 

The Kamlet-Jacobs method, using the above product hierarchy, along with the thermochemical property, A// , the heat of detonation, estimates detonation velocity by ... 

Example 13,1 Using the Kamlet-Jacobs method, estimate the detonation velocity of TNT at a density of 1.64 g/cm . 

Using the same parameters, the CJ pressure is given in the Kamlet-Jacobs method as ... 

The studies of shock sensitivity were based on the detonation velocities, D, calculated by the Kamlet and Jacobs method [156], and in some cases they also were determined experimentally. The heat of explosion, Qreai, was calculated by means of the semi-empirical relationships by Pepekin et al. [ 157]. Both these quantities characterize the shock wave due to chemical transformation of EM, i.e. the detonation wave. 

Kamlet, M. J. und Jacobs, S. J. Chemistry of Detonations, a Simple Method for Calculating Detonation Properties of CHNO-Explosives, Journal of Chem. Phys. 48, 23-50 (1968)... 

For compounds 125 and 126, the experimental values of the enthalpy of combustion are given, AHf° (gas) are calculated at the basis B3LYP/6-31G, and the detonation velocity is calculated by the method of Kamlet and Jacobs <2006JOC1295>. 

In Section I, Chemistry of Explosives, methods were described that enable one to estimate detonation properties (detonation velocity D and detonation pressure Pcj) from the molecular structure of an explosive. This section gives an alternate method that utilizes the thermochemical properties of an explosive in order to estimate the values of these two output properties. This method was developed by M. J. Kamlet and S. J. Jacobs of the Naval Ordnance Laboratory in White Oak, MD (Ref 9) and is referred to in this text as the KJ method. 

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