Chapter: 8 Case Study: 2

Almia, Francis M.
Roots of Equation
8.2 In chemical engineering, plug flow reactors (that is, those in which fluid flows from one end to
the other with minimal mixing along the longitudinal axis) are often used to convert reactants into
products. It has been determined that the efficiency of the conversion can sometimes be
improved by recycling a portion of the product stream so that it returns to the entrance for an
additional pass through the reactor (Fig. P8.2).

𝑅=(𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑓𝑙𝑢𝑖𝑑 𝑟𝑒𝑡𝑢𝑟𝑛𝑒𝑑 𝑡𝑜 𝑒𝑛𝑡𝑟𝑎𝑛𝑐𝑒)/(𝑣𝑜𝑙𝑢𝑚𝑒 𝑙𝑒𝑎𝑣𝑖𝑛𝑔 𝑡ℎ𝑒 𝑠𝑦𝑠𝑡𝑒𝑚)

Suppose that we are processing a chemical A to generate a product B. For the case where A
forms B according to an autocatalytic reaction (that is, in which one of the products acts as a
catalyst or stimulus for the reaction), it can be shown that an optimal recycle rate must satisfy

𝑙𝑛 (1+𝑅(1−𝑋_𝐴𝑓 ))/(𝑅(1−𝑋_𝐴𝑓 ))=(𝑅+1)/𝑅[1+𝑅(1−𝑋_𝐴𝑓 )]

where X_Af=the fraction of reactant A that is converted to product B.

The optimal recycle rate corresponds to the minimum-sized reactor needed to attain the
desired level of conversion. Use a numerical method to determine the recycle ratios needed to
minimize reactor size for a fractional conversion of X_Af=0.9.
 Given:
𝑅=(𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑓𝑙𝑢𝑖𝑑 𝑟𝑒𝑡𝑢𝑟𝑛𝑒𝑑 𝑡𝑜 𝑒𝑛𝑡𝑟𝑎𝑛𝑐𝑒)/(𝑣𝑜𝑙𝑢𝑚𝑒 𝑙𝑒𝑎𝑣𝑖𝑛𝑔 𝑡ℎ𝑒 𝑠𝑦𝑠𝑡𝑒𝑚)

General Reactor Equation:

𝑙𝑛 (1+𝑅(1−𝑋_𝐴𝑓 ))/(𝑅(1−𝑋_𝐴𝑓 ))=(𝑅+1)/𝑅[1+𝑅(1−𝑋_𝐴𝑓 )]

Find: The Root "R"

at 𝑿_𝑨𝒇=𝟎.𝟗 𝒂𝒏𝒅 𝒂𝒕 𝒂 𝒕𝒐𝒍𝒆𝒓𝒂𝒏𝒄𝒆 𝒆𝒓𝒓𝒐𝒓 𝒂𝒕 𝟎.𝟎𝟎𝟏%.

Use Bisection Method

 Computation of 𝒇(𝑹) for Bisection Method

𝑹=𝑹[𝟏+𝑹(𝟏−𝑿_𝑨𝒇 )]𝒍𝒏 (𝟏+𝑹(𝟏−𝑿_𝑨𝒇 ))/(𝑹(𝟏−𝑿_𝑨𝒇 ))−𝟏

[𝟏+𝑹(𝟏−𝑿_𝑨𝒇 )]𝒍𝒏 (𝟏+𝑹(𝟏−𝑿_𝑨𝒇 ))/(𝑹(𝟏−𝑿_𝑨𝒇 ))−𝟏/𝑹−𝟏=𝟎 Divide all sides b

Where: 𝑿_𝑨𝒇=𝟎.𝟗

[𝟏+𝑹(𝟏−𝟎.𝟗 )]𝒍𝒏 (𝟏+𝑹(𝟏−𝟎.𝟗 ))/(𝑹(𝟏−𝟎.𝟗 ))−𝟏/𝑹−𝟏=𝟎

[𝟏+𝟎.𝟏𝑹]𝒍𝒏 (𝟏+𝟎.𝟏𝑹)/(𝟎.𝟏𝑹)−𝟏/𝑹−𝟏=𝟎
Divide all sides b

𝒍𝒏 (𝟏+𝟎.𝟏𝑹)/(𝟎.𝟏𝑹)−𝟏/𝑹[𝟏+𝟎.𝟏𝑹] −𝑹/𝑹[𝟏+𝟎.𝟏𝑹]𝒍𝒏=𝟎

𝒍𝒏 (𝟏+𝟎.𝟏𝑹)/(𝟎.𝟏𝑹)−[(𝟏+𝑹)/𝑹[𝟏+𝟎.𝟏𝑹] ]=𝟎
Multiply (-1)

𝒇(𝑹)=[(𝟏+𝑹)/𝑹[𝟏+𝟎.𝟏𝑹] ]−𝒍𝒏[(𝟏+𝟎.𝟏𝑹)/(𝟎.𝟏𝑹)]
Divide all sides by R

Divide all sides by [𝟏+𝟎.𝟏𝑹]

Multiply (-1)
 Bisection Method 𝒇(𝑹_𝒍 )=[(𝟏+𝑹_𝒍)/(𝑹_𝒍 [𝟏+𝟎.𝟏𝑹_𝒍 ] )]−𝒍𝒏[(𝟏+𝟎.𝟏𝑹_𝒍)/(𝟎.𝟏𝑹_𝒍 )]

𝒇(𝑹_𝒓 )=[(𝟏+𝑹_𝒓)/(𝑹_𝒓 [𝟏+𝟎.𝟏𝑹_𝒓 ] )]−𝒍𝒏[(𝟏+𝟎.𝟏𝑹_𝒓)/(𝟎.𝟏𝑹_𝒓 )]

𝒇(𝑹_𝒎 )=[(𝟏+𝑹_𝒎)/(𝑹_𝒎 [𝟏+𝟎.𝟏𝑹_𝒎 ] )]−𝒍𝒏[(𝟏+𝟎.𝟏𝑹_𝒎)/(𝟎.𝟏𝑹_𝒎𝝐_(𝒓𝒆
)] 𝒍)=|𝒙_(𝒊+𝟏

i 𝒙_𝒓 𝒙_𝒍 𝑓(𝒙_𝒓) 𝑓(𝒙_𝒍) 𝒙_𝒎 𝑓(𝒙_𝒎) Ꜫ(rel)

0 0.1 1 6.275969 -0.57971345462 0.55 -0.2827004738 0.69230769231
1 0.1 0.55 6.275969 -0.28270047378 0.325 0.4900955436 0.25714285714
2 0.325 0.55 0.490096 -0.28270047378 0.4375 -0.0240939285 0.14754098361
3 0.325 0.4375 0.490096 -0.02409392855 0.38125 0.18559719615 0.06870229008
4 0.38125 0.4375 0.185597 -0.02409392855 0.409375 0.07152280027 0.0332103321
5 0.409375 0.4375 0.071523 -0.02409392855 0.4234375 0.02165614921 0.01633393829
6 0.423438 0.4375 0.021656 -0.02409392855 0.43046875 -0.0017060416 0.00823421775
7 0.423438 0.430469 0.021656 -0.00170604157 0.42695313 0.00984998529 0.00410022779
8 0.426953 0.430469 0.00985 -0.00170604157 0.42871094 0.00404112355 0.00204591953
9 0.428711 0.430469 0.004041 -0.00170604157 0.42958984 0.00115988049 0.00102191439
10 0.42959 0.430469 0.00116 -0.00170604157 0.4300293 -0.0002749893 0.0005112184
11 0.42959 0.430029 0.00116 -0.00027498927 0.42980957 0.00044196763 0.00025554388
12 0.42981 0.430029 0.000442 -0.00027498927 0.42991943 8.3369787E-05 0.00012775562
13 0.429919 0.430029 8.337E-05 -0.00027498927 0.42997437 -9.583958E-05 6.3881889E-05
14 0.429919 0.429974 8.337E-05 -9.58395769E-05 0.4299469 -6.242356E-06 3.1941965E-05
15 0.429919 0.429947 8.337E-05 -6.24235583E-06 0.42993317 3.856185E-05 1.5970727E-05
16 0.429933 0.429947 3.856E-05 -6.24235583E-06 0.42994003 1.6159281E-05 7.9852999E-06
17 0.42994 0.429947 1.616E-05 -6.24235583E-06 0.42994347 4.9583459E-06 3.992634E-06
18 0.429943 0.429947 4.958E-06 -6.24235583E-06 0.42994518 -6.420341E-07 1.996321E-06
19 0.429943 0.429945 4.958E-06 -6.42034115E-07 0.42994432 2.1581486E-06 9.981595E-07
20 0.429944 0.429945 2.158E-06 -6.42034115E-07 0.42994475 7.5805542E-07
 𝑹𝒆𝒍𝒂𝒕𝒊𝒗𝒆 𝑬𝒓𝒓𝒐𝒓: 𝑻𝒐𝒍𝒆𝒓𝒂𝒏𝒄𝒆 𝑬𝒓𝒓𝒐𝒓:

𝒎)/(𝟎.𝟏𝑹_𝒎𝝐_(𝒓𝒆
)] 𝒍)=|𝒙_(𝒊+𝟏)−𝒙_𝒊 |/𝒙_(𝒊+𝟏) ∗𝟏𝟎𝟎%
𝝐_𝒔=𝟎.𝟎𝟎𝟏%

𝒘𝒉𝒆𝒓𝒆:
𝒇(𝑹_𝒍 )=𝐥𝐨𝐰𝐞𝐫 𝐛𝐫𝐚𝐜𝐤𝐞𝐭 𝒇(𝑹_𝒓 )=𝐥𝐨𝐰𝐞𝐫 𝐛𝐫𝐚𝐜𝐤𝐞𝐭

𝒇(𝑹_𝒎 )=𝐦𝐢𝐝 𝐛𝐫𝐚𝐜𝐤𝐞𝐭

After 20 iterations in the requirement of tolerance error of 0.001%:

𝒘𝒉𝒆𝒓𝒆:𝒊=𝟐𝟎 𝒂𝒕 𝒃𝒓𝒂𝒄𝒌𝒆𝒕𝒔 𝑹_𝒖=𝟎.𝟏 𝒂𝒏𝒅 𝑹_𝒍=𝟏

The recycle ratio/rate needed to minimize reactor size for a fractional conversion of X_Af=0.9 would b

𝑹=𝟎.𝟒𝟐𝟗𝟗𝟓

Graph of the Recycling Rate using MathCAD

.𝟏 𝒂𝒏𝒅 𝑹_𝒍=𝟏
onversion of X_Af=0.9 would be