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

被引:13
|
作者
Branco, Daniel P. [1 ]
Yablonsky, Gregory S. [2 ]
Marin, Guy B. [3 ]
Constales, Denis [1 ]
机构
[1] Univ Ghent, Dept Math Anal, Galglaan 2, B-9000 Ghent, Belgium
[2] St Louis Univ, Pk Coll Engn Aviat & Technol, 3450 Lindell Blvd, St Louis, MO 63103 USA
[3] Univ Ghent, Chem Technol Lab, Technol Pk 914, B-9052 Ghent, Belgium
关键词
Kinetic events; Joint kinetics; Map of events; Intersections; Coincidences; Two-step mechanism; THERMODYNAMIC TIME-INVARIANCES; COINCIDENCES; INTERSECTIONS;
D O I
10.1016/j.ces.2016.10.032
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
Kinetic events (intersections, maxima and coincidences) are mapped in the batch reactor (BR) and the continuously stirred-tank reactor (CSTR). The mechanism A -> B reversible arrow C was used as an example. A two-stage study was performed: the analysis of single kinetic events, and the ordering by pairs (coincidences) of these events. As a result, all maps of kinetic events were constructed in barycentric parametric coordinates of kinetic constants. A series of analytical expressions between kinetic coefficients and time characteristics of the events were found, in particular a relationship between the intersection times and the kinetic coefficients.
引用
收藏
页码:370 / 380
页数:11
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