Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
202509 | Fluid Phase Equilibria | 2011 | 5 Pages |
Abstract
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.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Daniel C. Evans, Samuel H. Yalkowsky,