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    ChE127 NUNEZ Assignment2

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    John Patrick Sanay Nunez
    This document contains an example problem from a Chemical Reaction Engineering assignment. The problem asks the student to determine the reaction mechanism that is suggested by a given rate expression for an irreversible reaction between reactants A and B. The rate expression is first-order with respect to A and zero-order with respect to B. This suggests a mechanism involving a bimolecular association to form an intermediate complex, followed by a single elementary step involving A and the intermediate to form the product AB. The solution shows that a termolecular association mechanism is consistent with the rate expression under the assumption that one of the rate constants is small, making its term negligible and reducing the overall expression to first-order in B.

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    ChE127 NUNEZ Assignment2

    Uploaded by

    John Patrick Sanay Nunez
    66 views2 pages
    This document contains an example problem from a Chemical Reaction Engineering assignment. The problem asks the student to determine the reaction mechanism that is suggested by a given rate expression for an irreversible reaction between reactants A and B. The rate expression is first-order with respect to A and zero-order with respect to B. This suggests a mechanism involving a bimolecular association to form an intermediate complex, followed by a single elementary step involving A and the intermediate to form the product AB. The solution shows that a termolecular association mechanism is consistent with the rate expression under the assumption that one of the rate constants is small, making its term negligible and reducing the overall expression to first-order in B.

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    This document contains an example problem from a Chemical Reaction Engineering assignment. The problem asks the student to determine the reaction mechanism that is suggested by a given rate expression for an irreversible reaction between reactants A and B. The rate expression is first-order with respect to A and zero-order with respect to B. This suggests a mechanism involving a bimolecular association to form an intermediate complex, followed by a single elementary step involving A and the intermediate to form the product AB. The solution shows that a termolecular association mechanism is consistent with the rate expression under the assumption that one of the rate constants is small, making its term negligible and reducing the overall expression to first-order in B.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    66 views2 pages

    ChE127 NUNEZ Assignment2

    Uploaded by

    John Patrick Sanay Nunez
    This document contains an example problem from a Chemical Reaction Engineering assignment. The problem asks the student to determine the reaction mechanism that is suggested by a given rate expression for an irreversible reaction between reactants A and B. The rate expression is first-order with respect to A and zero-order with respect to B. This suggests a mechanism involving a bimolecular association to form an intermediate complex, followed by a single elementary step involving A and the intermediate to form the product AB. The solution shows that a termolecular association mechanism is consistent with the rate expression under the assumption that one of the rate constants is small, making its term negligible and reducing the overall expression to first-order in B.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 2

    John Patrick S.

    Nunez
    BS ChE—3B
    ChE 127 – Chemical Reaction Engineering
    Assignment 2

    Example 1.

    The irreversible rxn


    𝐴 + 𝐵 ⇌ 𝐴𝐵
    have been studied kinetically, and the rate of formation of product has been found to be
    well correlated by the ff. rate eqn:
    𝑟𝐴𝐵 = 𝑘𝐶𝐴2 (ind. of 𝐵)
    What rxn mechanism is suggested by this rate expression if the chemistry of the rxn
    suggests that the intermediate consists of an association of reactant molecules and that a chain
    reaction does not occur?
    • Model II:
    𝑘1
    𝐵 + 𝐵 → 𝐵2∗
    𝐴 + 𝐵2∗ ⇄ 𝐴𝐵 + 𝐵 (𝑘3 , 𝑘4 )
    3 elem rxns:
    𝑘1
    𝐵 + 𝐵 → 𝐵2∗
    𝑘3
    𝐴 + 𝐵2∗ → 𝐴𝐵 + 𝐵
    𝑘4
    𝐴𝐵 + 𝐵 → 𝐴 + 𝐵2∗
    𝑟𝐴𝐵 = 𝑘3 [𝐴][𝐵2∗ ] − 𝑘4 [𝐵][𝐴𝐵]
    𝑟𝐵2∗ = 𝑘1 [𝐵]2 − 𝑘3 [𝐴][𝐵2∗ ] + 𝑘4 [𝐵][𝐴𝐵] = 0

    The rest is an assignment.


    Solution:
    𝑟𝐵2∗ = 𝑘1 [𝐵]2 − 𝑘𝐴 [𝐵][𝐴𝐵]

    𝑘3 [𝐴][𝐵2∗ ] = 𝑘1 [𝐵]2 + 𝑘4 [𝐵][𝐴𝐵]


    𝑘1 [𝐵]2 + 𝑘4 [𝐵][𝐴𝐵]
    [𝐵2∗ ] =
    𝑘3 [𝐴]
    Plugging into 𝑟𝐴𝐵 expression:
    𝑟𝐴𝐵 = 𝑘3 [𝐴][𝐵2∗ ] − 𝑘4 [𝐵][𝐴𝐵]
    Where:
    𝑘1 [𝐵]2 + 𝑘4 [𝐵][𝐴𝐵]
    [𝐵2∗ ] =
    𝑘4 [𝐴]
    𝑘1 [𝐵]2 + 𝑘4 [𝐵][𝐴𝐵]
    𝑟𝐴𝐵 = 𝑘3 [𝐴] [ ] − 𝑘4 [𝐵][𝐴𝐵]
    𝑘3 [𝐴]

    𝑘1 𝑘3 [𝐴][𝐵]2 + 𝑘3 𝑘4 [𝐴][𝐵][𝐴𝐵] 𝑘3 𝑘4 [𝐴][𝐵][𝐴𝐵]


    = −
    𝑘3 [𝐴] 𝑘3 [𝐴]
    𝑘1 𝑘3 [𝐴][𝐵]2
    𝑟𝐴𝐵 =
    𝑘3 [𝐴]
    Inconsistent with the rate expression, thus we test that if rates are small if it will
    be consistent:
    Assuming if 𝑘3 is small
    𝑘1 𝑘3 [𝐴][𝐵]2
    𝑟𝐴𝐵 =
    𝑘3 [𝐴]
    𝑘1 𝑘3 [𝐴][𝐵]2
    𝑟𝐴𝐵 =
    𝑘3 [𝐴]
    𝑟𝐴𝐵 = 𝑘1 [𝐵]2 (Consistent)

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