Chemistry 2 (2015 8) 181-189 ~ ~ ~ УДК 544.431.7 Simulation of Development of the Solid State Chain Reaction Marina V. Ananyeva and Alexander V. Kalenskii* Kemerovo State University 6 Krasnaya Str., Kemerovo, 650043, Russia Received 12.03.2015, received in revised form 21.04.2015, accepted 09.06.2015 In this work simulation of the kinetics of the explosive decomposition process in silver azide crystals was done. <...> The fi nite sizes of the sample and the laser radius, the energy transfer through the lattice, which causes the reagents’ redistribution, were also taken into account. <...> Optimal area of the crystal for the reaction to develop is the centre of the radiation zone. <...> Keywords: simulation, difference scheme, model of the chain reaction, explosive decomposition, energy transfer, energetic materials, silver azide. <...> All rights reserved * Corresponding author E-mail address: kriger@kemsu.ru # 181 # Marina V. Ananyeva and Alexander V. Kalenskii. <...> Simulation of Development of the Solid State Chain Reaction Ключевые слова: математическое моделирование, разностная схема, модель цепной реакции, взрывное разложение, перенос энергии, энергетические материалы, азид серебра. 1. <...> Determination of the mechanisms of the initiation, propagation and development of the energetic materials’ explosive decomposition has a wide applied meaning, as long as the inadvertent occurrence of the equipment based on the explosives causes signifi cant material damage [3, 4]. <...> There are two ways to describe the explosive decomposition process – thermal [8] and chain model [9]. <...> In terms of the chain model the self accelerated mode is due to the reagent multiplication [11]. <...> The aim of this work is to simulate the kinetics of generation, propagation of the reaction taking into account non-local behavior of the propagation stage and the fi nite radius of the initiating pulse, phenomenological model of the process that was proposed [12]. 2. <...> Explosive decomposition model of the silver azide According to the phenomenological model of the silver azide’s explosive decomposition the energy of the chain reaction might transfer along the crystal lattice and causes the e-h pairs’ generation. <...> The intensity of the reagents’ generation is maximal in immediate vicinity of the reaction area and then decreases exponentially [13]: 2h k2 where k1 N 2 6 – constant of the decomposition of N6-complex, k1 Propagation stage is <...>