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Matlab Assignment 3 Problem Statement Below are the chemical rate data from an isothermal and constant volume

batch reactor experiment for a simple chemical reaction A => B. Table 1: Concentration data obtained from batch reactor experiment t (s) CA (mol/m3) 0 100 0.3 77.9 0.6 55 0.9 42.5 1.2 36.7 1.5 33.8 1.8 25.1 2.1 18 2.4 17.7 2.7 14.1 3 10.9 3.3 11 3.6 10.6 3.9 12.8 4.2 10.6 4.5 7.09 4.8 9.08 5.1 4.01 5.4 3.47 5.7 8.05 6 4.28 6.3 3.65 6.6 0.69 6.9 2.85 7.2 1.57 7.5 3.3 7.8 5.7 8.1 2.72 8.4 0.59 8.7 4.57 9 1.04 9.3 2.18 9.6 6.18 9.9 1.7

By using the differential method, estimate the reaction order n and the rate coefficient, k for a power-law rate equation of the form: dC A n = kC A dt where the concentration of A, CA, is raised to the power of n. Theory By applying natural logarithm on both sides of the equation: dC A n ln = ln kC A dt

we can rearrange and simplify the corresponding equation to: dC A n ln = ln k + ln C A dt or dC A ln = ln k + n ln C A dt dC A versus ln C A , the slope of the graph will give In this case, if we plot the graph of ln dt the corresponding value for the reaction order n and the intercept of the graph with the y-axis will give the corresponding value for the natural logarithm of the rate coefficient, k. Methodology First, transfer the corresponding data into Matlab. Then, in Matlab, plot a graph of CA versus t. Since there is a fair amount of scattering in the data (a reasonable amount), a low order polynomial fit is recommended to fit the data to a relatively large number of points in order to calculate the derivatives at all data points analytically. You may also get some negative values dC A for which you cannot calculate the natural logarithm. In this case, use only the of dt dC A dC A values will be positive. This from your data set so that the dt dt can be done in Matlab by using the following command: negative values of
y = find(diffValue < 0); diffVx = diffValue(y); diffCx = diffConc(y); % % % % % diffValue = array of dc/dt values, y = array indices for elements with values < 0 diffVx is array with only the negative elements of diffValue array diffCx is array of conc values that correspond

% to dc/dt values in diffVx array

Calculate your derivatives estimation results for two fits (e.g., using two different polynomial dC A versus ln C A in Matlab, use a straight linear orders). Then, by plotting the graph of ln dt fit to determine the values of reaction order n and rate coefficient k for each plot of the polynomial fit. Finally, include in your results a plot of the data and the curves computed from the reaction order n and the rate coefficient k that you determined from your graphical analysis. That is, a plot of CA versus t is computed from the determined k and n values by solving the following initial value problem from t = 0 to 9.9: dC A n = kC A dt where C A (0) = 100 . Attach all the graphs that you generated from Matlab in your report and write a short report that summarizes what you did. The step-by-step procedures of your Matlab execution should also be provided. Your deliverables should also contain the corresponding Matlab codes that you used for your Matlab calculations. You can work individually or in a group of 2-5 people.

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