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Entropy-driven dynamics

Entanglement 49,50,57 Entropic forces 24 Entropy, conformational 26 Entropy-driven dynamics 25 Ergodicity parameter, non- 113-115,141... [Pg.30]

Methods of quantum mechanics (quantum chemistry) were utilized to predict the products of thermal decomposition of triacetone triperoxide (TATP) [30], i.e. oxygen, acetone and unstable acetone monoperoxide. By means of a ReaxFF monomolecular molecular-dynamic cookoff simulation it was found [31] that the initiation of TATP decomposition in the condensed phase is dominated by a monomolecular process [31]. This simulation demonstrates that this initiation is entropy-driven, since the initial reaction is almost energy-neutral [31]. [Pg.202]

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See also in sourсe #XX -- [ Pg.25 ]



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