Paper Title:
QSPR Study on Electric Spark Sensitivity of Nitro Arenes
  Abstract

A quantitative structure-property relationship (QSPR) model was proposed for predicting electric spark sensitivity of 39 nitro arenes. The genetic function approximation (GFA) was employed to select the descriptors that have significant contribution to electric spark sensitivity from various descriptors and for fitting the relationship existed between the selected 8 descriptors and electric spark sensitivity. The correlation coefficients (R2) together with correlation coefficient of the leave-one-out cross validation (Q2CV) of the model are 0.924 and 0.873, respectively. The model is highly statistically significant, and the robustness as well as internal prediction capability of which is satisfactory. The results show that the predicted electric spark sensitivity values are in good agreement with the experimental data.

  Info
Periodical
Advanced Materials Research (Volumes 284-286)
Chapter
Composites
Edited by
Xiaoming Sang, Pengcheng Wang, Liqun Ai, Yungang Li and Jinglong Bu
Pages
197-200
DOI
10.4028/www.scientific.net/AMR.284-286.197
Citation
R. Wang, J. C. Jiang, Y. Pan, "QSPR Study on Electric Spark Sensitivity of Nitro Arenes", Advanced Materials Research, Vols. 284-286, pp. 197-200, 2011
Online since
July 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Mirela Opri, Emilia Amzoiu, Horia Octavian Manolea, Radu Rîcă
Chapter 1: Materials and Technologies in Dentistry and Endodontics
Abstract:Monomers used in dentistry allow tackling shrinkage problem during polymerization of dental composites.These monomers may cross biomembranes,...
59