Thermal decomposition of AIBN: Part D: Verification of simulation method for SADT determination based on AIBN benchmark
Thermal decomposition of AIBN: Part D: Verification of simulation method for SADT determination based on AIBN benchmark
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DOI：
10.1016/j.tca.2015.06.008
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发表时间：
2015-12-10
影响因子：
3.5
通讯作者：
Koludarova, Elena Yu.
中科院分区：
文献类型：
--
作者：
Kossoy, Arcady A.;Belokhvostov, Vasily M.;Koludarova, Elena Yu.
The advantages of simulation-based method for the SADT determination are widely recognized. Nevertheless, active introduction of this method in practice requires careful verification. The project proposed by the Federal Institute for Materials Research and Testing, BAM, pursued this very object. Decomposition of 2,2'-azobis(isobutyronitrile), AIBN, has been studied by DSC in isothermal mode and series of large-scale experiments (HI and H4 tests) have been implemented. All these data were available for processing, simulation, and comparison with the experimentally determined SADT.This paper represents the results achieved by "ChemIinform" Ltd. Firstly the formal kinetic model has been created that provided appropriate fit of calorimetric data. Then this model was used for simulation of the conditions of H1 and H4 experiments. The results demonstrate good correspondence with experimental data.The materials presented show the potential of the simulation-based method as very useful addition to the methods recommended by international regulations.The CISP TSS software was used for implementing all the steps of the study. (C) 2015 Elsevier B.V. All rights reserved.
