Propagation of uncertainty in chemically activated systems

Low temperature n-butane oxidation skeletal mechanism, based on multilevel approach

“…Therefore, we compared the calculated reaction constant for butyl peroxy C 4 H 9 OO (this work) with kinetics of ethyl peroxy radical C 2 H 5 OO ? C 2 H 4 + HO 2 [21] and propyl peroxy radical [22], which are in a good agreement. This direct elimination reaction responsible for shut down of the low temperature chainbranching mechanism, is not included in Warth's mechanism [11].…”

“…[22] dash line -C 4 H 9 OO->C 4 H 8 OOH (1,4s) [15] (b) C 4 H 9 OO->C 4 H 8 OOH (1,5s) [this work] C 4 H 9 OO->C 4 H 8 OOH (1,5s) [11] C 3 H 7 OO->C 3 H 6 OOH (1,5p) [22] dash line -C 4 H 9 OO->C 4 H 8 OOH (1,5s) [15] (c) (25) with formation of butyl hydroperoxides through five-member-ring (a), six-member-ring (b) and seven-memberring (c) transition state (TS). Calculated results were compared with ab initio calculated rate constants for C 2 H 5 OO [21], C 3 H 7 OO [22], C 4 H 9 OO [15] and constants from Warth's generated mechanism [11]. Ab initio calculated rate constants are clearly in rather good agreement with each other.…”

Quantifying Cell-to-Cell Variations in Lithium Ion Batteries

“…In the present work, we utilize the results of Sikha and White [8,9] to simulate the impedance response of the cell. The use of this model has a few advantages: the contributions from the individual components to the overall cell impedance are readily recognizable; the closedform transfer function for the lithium ion cell allows us to use the conventional tools [13][14][15][16][17][18][19][20][21][22][23] in controls theory to investigate effects of uncertainty in the parameters on the cell performance. Further details on the model equations can be found in [8,9].…”

“…Most of the discussion presented in this section draws from the literature on robust design under model uncertainties [13][14][15][16][17][18][19][20][21][22][23]. Extensive studies to minimize the effect of uncertainty in the input parameters on the robustness of plant performance have been carried out over several decades [13].…”

“…Skogestad and Morari [16] provide a detailed mathematical framework for handling uncertainty, and robust stability in multiple, input multiple, output (MIMO) systems introduced a formulation for design under uncertainty in input parameters, which utilizes a smooth nonlinear program that approximates the feasibility problem. Androulakis et al [19] investigated the effect of uncertainty in the microscopic reaction rate constants on macroscopic observables such as autoignition delay. Samsatli [20] introduced a robustness metric for optimization under parametric uncertainty.…”