Fluid Phase Equilibria, Vol.303, No.1, 10-14, 2011
A simplified prediction of entropy of melting for energetic compounds
A new widely applicable model for the prediction of the entropy of melting of organic compounds is presented. The use of three simple geometry based parameters: rotational symmetry, flexibility, and eccentricity enables the simple and accurate prediction of this important property. This paper demonstrates the use of the model for energetic compounds. (C) 2010 Elsevier B.V. All rights reserved.