Mapping the kinetic events in a linear two-step irreversible-reversible reaction mechanism

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• 作者：Daniel Branco P.^a ; ^{Daniel.BrancoPinto@UGent.be} ; ^{Denis.Constales@UGent.be} ; Gregory S. Yablonsky^b ; ^{gyablons@slu.edu} ; Guy B. Marin^c ; ^{Guy.Marin@UGent.be} ; Denis Constales^a
• 关键词：Kinetic events ; Joint kinetics ; Map of events ; Intersections ; Coincidences ; Two-step mechanism
• 刊名：Chemical Engineering Science
• 出版年：2017
• 出版时间：2 February 2017
• 年：2017
• 卷：158
• 期：Complete
• 页码：370-380
• 全文大小：1049 K
• 卷排序：158

文摘

Maxima, minima, intersections and inflection points are kinetic events studied in batch reactor and CSTR for the mechanism A→B⇄CA→B⇄C. These thoroughly analyzed events can be used as kinetic fingerprint of the mechanism. Kinetic events are an useful source of information; their characteristic times can be used to resolve kinetic constants. The kinetic events are hierarchized according to their characteristic times and values in barycentric coordinates. We found an invariant intersection independent of both initial conditions and features of the mechanism.