PMID- 35519480 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20220507 IS - 2046-2069 (Electronic) IS - 2046-2069 (Linking) VI - 9 IP - 39 DP - 2019 Jul 17 TI - Studies on the thermal behavior and safety of a novel thermostable explosive BPTAP. PG - 22198-22204 LID - 10.1039/c9ra03385h [doi] AB - Thermal decomposition of a highly thermostable explosive dihydroxylammonium 2,4,8,10-tetranitro-benzopyrido-1,3a,6,6a-tetraazapentalene (BPTAP) was studied using conventional thermal analysis techniques (Thermal Gravimetric Analysis and Differential Scanning Calorimetry). To obtain more comprehensive insight into the kinetics mechanism of BPTAP decomposition, thermoanalytical experiments were performed under non-hermetic and hermetic conditions. Several widely used thermoanalytical data processing techniques based on model-free kinetics (Flynn-Wall-Ozawa, Kissinger, Freidman, numerical optimization) were studied and compared. Furthermore, to fully understand the thermal safety property of BPTAP, the kinetic model and the kinetic parameters were evaluated based on the non-isothermal DSC data by using a non-linear optimization method. The kinetic models of thermal decomposition of BPTAP under non-hermetic and hermetic conditions were different, which were identified as the generalized autocatalysis reaction and two parallel generalized autocatalysis reactions, respectively. On the basis of the aforementioned study, two important safety parameters including the time to maximum rate under adiabatic conditions and self-accelerating decomposition temperature for BPTAP in DEWAR were calculated and discussed. CI - This journal is (c) The Royal Society of Chemistry. FAU - Yang, Fang AU - Yang F AUID- ORCID: 0000-0002-7138-6807 AD - Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan 621900 China yangfang@caep.cn c.d.zhao@caep.cn. FAU - Chen, Ya AU - Chen Y AD - Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan 621900 China yangfang@caep.cn c.d.zhao@caep.cn. FAU - Zhao, Chuande AU - Zhao C AD - Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan 621900 China yangfang@caep.cn c.d.zhao@caep.cn. FAU - Zhang, Long AU - Zhang L AUID- ORCID: 0000-0002-0948-246X AD - Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan 621900 China yangfang@caep.cn c.d.zhao@caep.cn. LA - eng PT - Journal Article DEP - 20190717 PL - England TA - RSC Adv JT - RSC advances JID - 101581657 PMC - PMC9067122 COIS- There are no conflicts to declare. EDAT- 2019/07/17 00:00 MHDA- 2019/07/17 00:01 PMCR- 2019/07/17 CRDT- 2022/05/06 06:05 PHST- 2019/05/06 00:00 [received] PHST- 2019/07/11 00:00 [accepted] PHST- 2022/05/06 06:05 [entrez] PHST- 2019/07/17 00:00 [pubmed] PHST- 2019/07/17 00:01 [medline] PHST- 2019/07/17 00:00 [pmc-release] AID - c9ra03385h [pii] AID - 10.1039/c9ra03385h [doi] PST - epublish SO - RSC Adv. 2019 Jul 17;9(39):22198-22204. doi: 10.1039/c9ra03385h. eCollection 2019 Jul 17.