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Collection Analysis of Rate Data

16. Types of Reactors for obtaining Rate Data. Batch, primarily for homogeneous reactions:Measured: C(t), P((t) and/or V(t)Unsteady-state operationDifferential reactor, for heterogeneous reactionsMeasured: Product concentration @ different feed condition Steady-state operation. 17.

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Collection Analysis of Rate Data

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    1. 15 Collection & Analysis of Rate Data Dicky Dermawan www.dickydermawan.net78.net dickydermawan@gmail.com

    2. 16 Types of Reactors for obtaining Rate Data Batch, primarily for homogeneous reactions: Measured: C(t), P((t) and/or V(t) Unsteady-state operation Differential reactor, for heterogeneous reactions Measured: Product concentration @ different feed condition Steady-state operation

    3. 17 Methods for Analyzing Rate Data Differential Method Integral Method Half-lives Method Method of Initial Rates Linear and Nonlinear Regression (Least-Square Analysis

    4. 18 Differential Method Applicable when reaction condition are such that the rate is essentially a function of the concentration of only one reactant Can be used coupled with method of excess Outline of the procedure: combining the definition of rate reaction with the assumed

    5. 19 Determining The Derivative Graphical Differentiation Differentiation of a polynomial fit to the data Numerical differentiation

    6. 20 Graphical Differential

    7. 21 Differentiation of a Polynomial Fit to The Data

    8. 22 Numerical Method

    9. 23 Example: P5-3A1 The irreversible isomerization A? B was carried out in a batch reactor and the following concentration – time data were obtained. Determine the reaction order and the specific reaction rate k using differential method Check the goodness of the fit.

    10. 24 Example: P5-51 The reaction A ? B + C was carried out in a constant-volume batch reactor where the following concentration – time measurements were recorded as a function of time. Determine the reaction order and the specific reaction rate k using differential method Check the goodness of the fit.

    11. 25 Integral Method Most often used when the reaction order is known Outline of the procedure: Guess the reaction order, then integral data the combining differential concentration-time equation; find the appropriate linear plot (Essen’s Method) If the assumed rate law is correct, the plot should be linear; otherwise assume other rate equation and repeat the procedure

    12. 26 Intagral Metode of van’t Hoff Pada aplikasi metode integral oleh Essen, tidak dibuat kurva dari hasil integrasi, melainkan……… Dihitung harga k dari setiap data point; bila hasilnya kira-kira konstan, maka dapat disimpulkan bahwa orde reaksi yang dipostulasikan sudah tepat.

    13. 27 Example: P5-3A2 The irreversible isomerization A ? B was carried out in a batch reactor and the following concentration – time data were obtained. Determine the reaction order and the specific reaction rate k using integral method Check the goodness of the fit.

    14. 28 Example: P5-52 The reaction A ? B + C was carried out in a constant-volume batch reactor where the following concentration – time measurements were recorded as a function of time. Determine the reaction order and the specific reaction rate k using integral method Check the goodness of the fit.

    15. 29 Process your data in terms of measured variable Look for simplifications!

    16. 30 L3-14 Constant Volume Batch Reactor A small reaction bomb fitted with a sensitive pressure-measuring device is flushed out at 25oC, a temperature low enough that the reaction does not proceed to any appreciable extent. The temperature is then raised as rapidly as possible to 100oC by plunging the bomb into boiling water, and the readings in Table P14 are obtained. The stoichiometry of the reaction is 2 A ? B After leaving the bomb in the bath over the weekend the contents are analyzed for A; none can be found. Find a rate equation in units of moles, liters, and minutes which will satisfactorily fit the data.

    17. 31 L3-19 Constant Volume Batch Reactor with Inert in the Reactant A small reaction bomb fitted with a sensitive pressure-measuring device is flushed out & filled with a mixture of 76.94% reactant A and 23.06% inert at 1-atm pressure at 14oC, a temperature low enough that the reaction does not proceed to any appreciable extent. The temperature is then raised as rapidly as possible to 100oC, and the readings in Table P19 are obtained. The stoichiometry of the reaction is A ? 2 R After sufficient time the reaction proceeds to completion. Find a rate equation in units of moles, liters, and minutes which will satisfactorily fit the data.

    18. 32 L5-18 Constant Pressure Batch Reactor The homogeneous gas reaction: A ? 2 B is run at 100oC at a constant pressure of 1 atm in an experimental batch reactor. The data in Table P18 were obtained starting with pure A. Find the rate equation.

    19. 33 Quiz 1 Basic Concept Selasa, 10 Oktober 2006

    20. 34 Half-lives Method @ t = t1/2 ? NA = ½ NA0 @ V = V0 ? CA = ½ CA0

    21. 35 L3-8 Half-lives Method Find the overall order of the reaction: 2 H2 + 2 NO ? N2 + 2 H2O From the following constant-volume data using equimolar amounts of hydrogen and nitric oxide:

    22. 36 U2-Half-lives Method The thermal decomposition of nitrous oxide (N2O) in the gas phase at 1030 K is studied in a constant-volume vessel at various initial pressures of N2O. The half-life data so obtained are as follows:

    23. 37 L3-29 Half-lives Method Determine the complete rate equation in units of moles, liters, and seconds for the thermal decomposition of tetrahydrofuran from the half-life data in Table P29

    24. 38 Method of Initial Rates Reversible reaction, viz. A ? B If follows simple order rate law:

    25. 39 H3-7. Metode laju awal Data laju awal, , berikut ini dilaporkan untuk reaksi fasa gas antara diborana dengan aseton pada suhu 114oC: B2H6 + 4 Me2CO ? 2(Me2CHO)2BH Bila dipostulasikan persamaan laju reaksi berbentuk tentukan n, m, dan k.

    26. 40 Fitting Data from Differential Reactors Using very small catalyst weight W & large volumetric flow rates ?0 Low conversion X CA ~ CA0

    27. 41 Fitting Data from Differential Reactors: Example 5-4

    28. 42 Fitting Data from Differential Reactors: P5-19C

    29. 43 Fitting Data from Differential Reactors: P5-19C (cont’)

    30. 44 Linear & Nonlinear Regression: Goodness of Fit

    31. 45 Nonlinear Regression for Example P5-3A1

    32. 46 Case: Paramaecium Growth

    33. 47 Paramaecium Growth

    34. 48 Assignment Analyze the previous data to fit kinetic model: Using linear & nonlinear least square Compare the variance of your results

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