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The most important heat transfer mechanisms were calculated and discussed.
The contributions of different strengthening mechanisms were calculated, which are in good agreement on experimental results.
Rate constants for the two mechanisms were calculated to be 1.8×107±1.3×107 and 5.6×103±4.1×103 s−1, respectively, for oxygen concentration<0.25%.
Variation with time of concentration and reaction rates for the species involved in the proposed mechanisms were calculated numerically by solving the systems of ordinary differential equations accounting for the behavior of each species concentration.
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Without losing generality, MA in both of the mechanisms is calculated simply, and for crossover, FLMA is considered.
On this consideration, the quenching mechanisms are studied and the processes are controlled by multiple mechanisms in which dynamic and static mechanisms are calculated, achieving the quantification evaluation of the quenching process.
The relative energies for the transition states, intermediate, and products in the gas-phase reaction mechanism were calculated at the B3LYP/6-311++G** and MP2/6-311 + G 2df,2p) levels of theory.
Furthermore, the relative energies of the various intermediates and products in the gas-phase radical mechanism were calculated at the B3LYP/6-311++G** and MP2/6-311 + G 2df,2p) levels of theory.
Fractional instantaneous heat losses from the porous media under radiation heat transfer mechanism were calculated during the actual pore-scale SAGD experiments considering the fraction of the swept area of glass micromodels, real-time bitumen-steam interface tracking, and energy dissipation calculations using information derived from the heat loss experiments.
Overall state sensitivity coefficients, which quantify the robustness or fragility of a given mechanism, were calculated using a monte-carlo strategy with three different numerical techniques along with multiple parameter perturbation strategies to control for possible numerical and sampling artifacts.
Finally, direct Z-scheme photocatalytic mechanism is calculated.
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