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Modeling of Chemical Kinetics and Reactor Design - download pdf or read online

By A. Kayode Coker PhD

ISBN-10: 0884154815

ISBN-13: 9780884154815

The chapters within the final half the publication (especially blending, biochemical, defense) are new and beneficial contributions to CRE books. the monitor pictures of combining simulations definitely are even more comprehensible (and attractive) whilst considered at the CD.

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Extra info for Modeling of Chemical Kinetics and Reactor Design

Example text

The physical steps involved are the transfer of the component Reaction Mechanisms and Rate Expressions 29 gases up to the catalyst surface, diffusion of reactants into the interior of the pellet, diffusion of the products back to the exterior surface, and finally the transfer of the products from the exterior surface to the main stream. Interpreting the experimental results requires minimizing the resistance offered by each of these physical processes and focusing on the chemical aspects of the reaction.

The simplest type of enzymatic reaction involves only a single reactant or substrate. The substrate forms an unstable complex with the enzyme that decomposes to give the product species or, alternatively, to generate the substrate. 22 Modeling of Chemical Kinetics and Reactor Design Using the Bodenstein steady state approximation for the intermediate enzyme substrate complexes derives reaction rate expressions for enzymatic reactions. A possible mechanism of a closed sequence reaction is: r k1 E + S [ ES* (1-93) k2 Enzyme Substrate enzyme-substrate complex k ES* 3 → E + P (1-94) r r where E S ES* P = = = = enzyme substrate enzyme-substrate complex product of the reaction The stoichiometry of the reaction may be represented as: S →P (1-95) The net rate of an enzymatic reaction is usually referred to as its velocity, V, represented by: V= dC p dt = k 3C ES* (1-96) The concentration of the complex can be obtained from the net rate of disappearance: (− r ) SE * net =− dC SE * dt = k 2 C SE * + k 3C SE * − k1C SC E (1-97) Using the steady state approximation, dC SE * dt or = k1C SC E − k 2 C SE * − k 3C SE * ≅ 0 (1-98) Reaction Mechanisms and Rate Expressions C SE * = k1C SC E k2 + k3 23 (1-99) Substituting Equation 1-99 into Equation 1-96 gives: V= k1 • k 3 • C E • C S k2 + k3 (1-100) From the material balance, the total concentration of the enzyme in the system, CET, is constant and equal to the sum of the concentrations of the free or unbounded enzyme, CE, and the enzymesubstrate complex, CSE*, that is: C ET = C E + C SE * (1-101) For the substrate CS, the total concentration of the substrate in the system, CST, is equal to the sum of the concentration of the substrate and the enzyme substrate complex CSE* C ST = C S + C SE * (1-102) In laboratory conditions, CST k CET, since CSE* cannot exceed CET.

A substrate, S, is the substance that is chemically transformed at an accelerated rate because of the action of the enzyme on it. Most enzymes are normally named in terms of the reactions they catalyze. In practice, a suffice -ase is added to the substrate on which the enzyme acts. For example, the enzyme that catalyzes the decomposition of urea is urease, the enzyme that acts on uric acid is uricase, and the enzyme present in the micro-organism that converts glucose to gluconolactone is glucose oxidase.

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Modeling of Chemical Kinetics and Reactor Design by A. Kayode Coker PhD


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