Global Relation Between the Steady State Rate Mode and the Transient State Behavior of Products*
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概要
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A new approach has been applied to find the global relation between the mode of steady state rate function (SSF) and the transient state behavior (TSB), by using a computer simulation technique. A typical complex reaction model producing two different products in parallel in which a stable surface intermediate participant (In) is added is used as an example. The mode of the SSF is classified into three typical types according to the values of the kinetic parameters employed ; Type A : monotonous increase mode for the two products (lower surface coverage of (In), θ_<In>＜0.1) ; Type B : the volcano mode for one and the monotonous increase mode for another product (higher surface coverage of (In), θ_<In>=0.1-0.7) and Type C : volcano mode for the two products (θ_<In>=0.1-0.9). The mode were sensitively characterizes by the amount of the surface intermediates and the kinetic parameters. The TSB is drastically and sensitively varied depending on the combination of the values of kinetic parameters and the surface coverage of the adsorbed species relating to the mode of the SSF. The modes of TSB are classified into four characteristic types ; Type I : Over-shoot mode which appears on a relatively lower surface coverage of (In)(θ_<In>＜0.4) plus the slower regeneration of active species (at the low concentration region of Types A and B) ; type II : False start mode which is observed with a relatively lower surface coverage of (In) (01.-0.3) plus the inhibition effect of reactant (at the high concentration region of Type A and low concentration region of Type C) ; Type III : Extraordinarily slow response mode which appears on very slow reconfiguration of the adsorbed species (at the medium concentration region of Type C) ; Type IV : No change mode which results from the saturated coverage with the surface intermediates (at the high concentration region of Type C).
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