Density Estimation for New Solid and Liquid Explosives
Abstract
The group additivity approach was shown to be applicable to density estimation. The densities of approximately 180 explosives and related compounds of very diverse compositions were estimated, and almost all the estimates were quite reasonable. Of the 168 compounds for which direct comparisons could be made (see Table 6), 36.9% of the estimated densities were within 1% of the measured densities, 33.3% were within 1-2%, 11.9% were within 2-3%, 8.9% were within 3-4%, and 9.0% were more than 4% different from the measured densities. Thus, of the densities estimated in this study, 82% were within 3% of the measured density. The average absolute error in density was approximately 0.022 g/cm3, and the absolute error in density exceeded 0.04 g/cm3 for only 24 of the 168 compounds (14.3%). The largest errors occurred for compounds with several bulky, highly polar groups in close proximity, and for compounds containing groups whose calculated molar volumes were based on density data for only two or three compounds. As more density data for a certain group configuration become available, the molar volume can be determined more accurately, and the overall agreement between measured and estimated densities of compounds containing that group should improve.
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 17, 1977
- Accession Number
- ADA038094
Entities
People
- Clifford L. Coon
- Craig M. Tarver
- John M. Guimont
Organizations
- SRI International