Thermal stability of a novel thiourea compound—N-(phenylacetamido)-N’-(α-naphthylaceto) thiourea was studied by thermogravimetry (TG) and differential thermogravimetry (DTG). There were two weight-loss phases in the heating courses from room temperature to 600 ℃. The thermal decomposition mechanism was proposed on basis of TG and Mayer bond orders calculated by Gaussian03 software. The parameters of thermal decomposition kinetics were obtained by Kissinger and Ozawa methods, and the kinetic equations of thermal decomposition were expressed as dα/dt＝541.5exp(－38350/RT)(1－α)2.58 for the first thermal decomposition phase and dα/dt＝505.2exp(－64810/RT)(1－α)2.12 for the second thermal decomposition phase, respectively.

Key words: thiourea, quantum chemistry calculation, thermal decomposition mechanism, thermal kinetics, thermogravimetry