TY - JOUR
T1 - Hybrid Chemometric Approach for Estimating the Heat of Detonation of Aromatic Energetic Compounds
AU - Adeyemo, Hayatullahi B.
AU - Owolabi, Taoreed
AU - Suleiman, Muhammad
AU - Akande, Kabiru O.
AU - Alhiyafi, Jamal
AU - Fayose, Sola
AU - Olatunji, Sunday
PY - 2019/7
Y1 - 2019/7
N2 - This work presents an elegant technique for estimating the heat of detonation (HD) of thirty organic energetic compounds by combining support vector regression (SVR) and gravitational search algorithm (GSA). The work shows that numbers of nitrogen and oxygen atoms as well as the compound molar mass are sufficient as descriptors. On the basis of three performance measuring parameters, the hybrid GSA-SVR outperforms Mortimer and Kamlet (1968), Mohammad and Hamid (2004) and Mohammad (2006) models with performance improvement of 93.951%, 86.197%, and 47.104%, respectively. The superior performance demonstrated by the proposed method would be of immense significance in containing the potential damage of the explosives through quick estimation of HD of organic energetic compounds without loss of experimental precision.
AB - This work presents an elegant technique for estimating the heat of detonation (HD) of thirty organic energetic compounds by combining support vector regression (SVR) and gravitational search algorithm (GSA). The work shows that numbers of nitrogen and oxygen atoms as well as the compound molar mass are sufficient as descriptors. On the basis of three performance measuring parameters, the hybrid GSA-SVR outperforms Mortimer and Kamlet (1968), Mohammad and Hamid (2004) and Mohammad (2006) models with performance improvement of 93.951%, 86.197%, and 47.104%, respectively. The superior performance demonstrated by the proposed method would be of immense significance in containing the potential damage of the explosives through quick estimation of HD of organic energetic compounds without loss of experimental precision.
KW - Materials Scince
KW - Heat of Detonation
KW - Organic Energetic Compounds
KW - Support Vector Regression
KW - Gravitational Search Algorithm
UR - https://www.sciencedirect.com/science/article/pii/S2405844019356956
U2 - 10.1016/j.heliyon.2019.e02035
DO - 10.1016/j.heliyon.2019.e02035
M3 - Article
VL - 5
JO - Heliyon
JF - Heliyon
ER -