화학공학소재연구정보센터
Journal of Hazardous Materials, Vol.189, No.1-2, 211-221, 2011
An accurate model for prediction of autoignition temperature of pure compounds
Accurate prediction of pure compounds autoignition temperature (AIT) is of great importance. In this study, the Artificial Neural Network-Group Contribution (ANN-GC) method is applied to evaluate the AIT of pure compounds. 1025 pure compounds from various chemical families are investigated to propose a comprehensive and predictive model. The obtained results show the squared correlation coefficient of 0.984, root mean square error of 15.44 K, and average percent error of 1.6% for the experimental values. (C) 2011 Elsevier B.V. All rights reserved.