CHEN 464 Spring 2013 Homework #2 Due on Thursday 1/31/13

1. 2. 3. Fogler P2-4 Fogler P2-7 Fogler P2-12 (20pts) (30pts) (20pts)

4.

(30pts) For the irreversible gas-phase reaction:

the following correlation was determined from laboratory data (the initial concentration of A is 0.2 g mol/L):

The volumetric flow rate is 5 m3/s. a. b. c. d. e. Over what range of conversions are the plug-flow reactor and CSTR volumes identical? What conversion will be achieved in a CSTR that has a volume of 90 L? What plug-flow reactor volume is necessary to achieve 70% conversion? What CSTR reactor volume is required if effluent from the plug-flow reactor in part (c) is fed to a CSTR to raise the conversion to 90%? If the reaction is carried out in a constant-pressure batch reactor in which pure A is fed to the reactor, what length of time is necessary to achieve 40 % conversion?

Note that the reaction rate is VERY small (i.e., 1/-rA is HUGE!!).

CHEN 464 Homework #2

Or the better way to get a polynomial equation based on (1/-rA) from the Levenspiel plot. 1/-rA = f(X) = a*X^4 + b*X^3 + c*X^2 + d*X + e

CHEN 464 Homework #2

You can get the coefficients by regression using Excel or Polymath. I used Excel.
Levenspiel Plot
25.00 y = 125.56x 4 - 127.2x 3 + 49.127x 2 - 0.0467x + 2.2501 R2 = 0.9998

20.00

15.00

1/-rA
10.00 5.00 0.00 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 Conversion X

CSTR design equation, V/FA0 = (1/-rA)*X = f(X)*X = a*X^5 + b*X^4 + c*X^3 + d*X^2 + e*X Thus, 0 = a*X^5 + b*X^4 + c*X^3 + d*X^2 + e*X V/FA0 Given V, you can numerically solve this equation to get X. Notice that there are five Xs that will satisfy the above equation and thus you need to have a good idea about the right X. I used Polymath to numerically solve the above equation.

CHEN 464 Homework #2

POLYMATH 5.0 Results

No Title 09-13-2007 NLE Solution
Variable x a b c d e V Fa0 Value

0.5511922
125.56 -127.2 49.127 -0.0467 2.2501 0.82 0.2

f(x) Ini Guess 2.882E-08 0.5

NLE Report (safenewt)

Nonlinear equations as entered by the user [1] f(x) = a*x^5+b*x^4+c*x^3+d*x^2+e*x-V/Fa0 = 0 Explicit equations as entered by the user [1] a = 125.56 [2] b = -127.2 [3] c = 49.127 [4] d = -0.0467 [5] e = 2.2501 [6] V = 0.82 [7] Fa0 = 0.2 Settings Max iterations Tolerance F Tolerance X Tolerance min

= 150 = 0.0000001 = 0.0000001 = 0.0000001

General Search range: 1 > x > 0 number of implicit equations: 1 number of explicit equations: 7 Data file: C:\Documents and Settings\h0j0411\Desktop\Teaching\CHEN 464\Homework\p2.4a.pol

Ive got X = 0.55 instead of 0.546. You can get the X2 in the similar way.

CHEN 464 Homework #2

CHEN 464 Homework #2

Since we got 1/-rA = f(X) above, PFR design equation, V/FA0 =

X dX f ( X )dX a/5*X^5 + b/4*X^4 + c/3*X^3 + d/2*X^2 + rA 0

e*X Thus, 0 = a/5*X^5 + b/4*X^4 + c/3*X^3 + d/2*X^2 + e*X V/FA0 Given V, you can numerically solve this equation to get X.

NLE Solution
Variable x a b c d e V Fa0 Value

0.605098
125.56 -127.2 49.127 -0.0467 2.2501 0.551 0.2

f(x) Ini Guess 2.48E-09 0.5

NLE Report (safenewt)

Nonlinear equations as entered by the user [1] f(x) = a/5*x^5+b/4*x^4+c/3*x^3+d/2*x^2+e*x-V/Fa0 = 0 Explicit equations as entered by the user [1] a = 125.56 [2] b = -127.2 [3] c = 49.127 [4] d = -0.0467 [5] e = 2.2501 [6] V = 0.551 [7] Fa0 = 0.2 Comments [7] V = 0.551 PFR Volume [8] Fa0 = 0.2 Incoming molar flow rate

CHEN 464 Homework #2

Here, I got X = 0.605 instead 0.603.. You can get X2 in the same way that I just did it. In summary, If asked to get conversion given reactor volume based on raw data, 1. First draw the Levenspiel plot 2. Fit the data using a polynomial 3. Write design equation 4. Numerically (or analytically) solve the equation with a good sense of guess for initial starting point if solving numerically.

CHEN 464 Homework #2

CHEN 464 Homework #2

(4) For PFR

/ C A0
X

dX = (0.2/3) * [2.22 + 4*3.33 + 5.13 +4*8.85+20] : Simpson rule rA

Thus, = CA0 * 5.07 = 2.5 mol/dm3 * 5.07 m3 s/mol * 1000 dm3/m3 * 1 hr/3600s = 3.52 hr

CHEN 464 Homework #2

CHEN 464 Homework #2

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4.(a)

CHEN 464 Homework #2

4. (b)

4. (c)

CHEN 464 Homework #2

4. (d)

4. (e)

CHEN 464 Homework #2

CHEN 464 Homework #2