Name
Abstract | ||
|---|---|---|
In organic chemistry, the switching point between the kinetic and thermodynamic control regimes of two competitive, parallel reactions is widely studied. A new definition for this switching point is proposed: the time at which the rates of formation of the competing products are equal. According to this definition, the kinetic control regime is present from the beginning of the reaction, and is valid as long as the rate of formation of the kinetic product is larger than the rate of formation of the thermodynamic product. On the switching point, both rates of formation are equal, so, from this switching point the thermodynamic product has a larger rate of formation, and the thermodynamic control remains until the end of the reaction. A closed form expression is given for the proposed time of the switching point, as a function of the direct and inverse kinetic constants of both competing reactions, as well as the initial concentrations of the starting reagent and the competing products. The concept of competing control regimes is extended also to the case where the reactions start from two competitive reagents which decompose to produce a single product. |
Year | DOI | Venue |
|---|---|---|
2019 | 10.1016/j.compchemeng.2016.06.022 | Computers & Chemical Engineering |
Keywords | Field | DocType |
Switching point,Rate of formation,Thermodynamic product,Thermodynamic control,Kinetic product,Kinetic control | Inverse,Thermodynamics,Closed-form expression,Thermodynamic state,Reagent,Mathematics,Kinetic energy,Decomposition | Journal |
Volume | ISSN | Citations |
125 | 0098-1354 | 0 |
PageRank | References | Authors |
0.34 | 0 | 4 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| P. Daniel Branco | 1 | 0 | 0.34 |
| G. S. Yablonsky | 2 | 0 | 2.37 |
| G. B. Marin | 3 | 3 | 2.36 |
| Denis Constales | 4 | 3 | 4.16 |