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Chapter 2: 2.1-2.5, 2.6, 2.7

2.6: Element Balances


2.6: Element Balances

The Program: el1

The first element balance program: el1, is an interactive version in which all data is input in reply to prompts. It requires that all flows be given in molar units. Typing el1 will set the program into motion as shown in analyzing Problem 4.2 in the text with a basis chosen of 100 mols of feed gas:

wsname% el1
____________________________________________________
el1 asks for the number of mols of each compound
 IN and OUT of a System and then its Formula.
A Table then gives the molar flows for all compounds
and a second Table gives the element Flows.
____________________________________________________

Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            1 or stop to STOP.
.8 0 CH4        <-- Flow in, Flow out, Formula
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            2 or stop to STOP.
7.6 0 CO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            3 or stop to STOP.
35.2 0 CO
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            4 or stop to STOP.
51.9 0 H2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            5 or stop to STOP.
4 4 N2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            6 or stop to STOP.
0.5 0 O2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            7 or stop to STOP.
stop
    Compound         Mols in     Mols out
 CH4                  0.8000      0.0000
 CO2                  7.6000      0.0000
 CO                  35.2000      0.0000
 H2                  51.9000      0.0000
 N2                   4.0000      4.0000
 O2                   0.5000      0.0000
           Total    100.0000      4.0000
 Element           Atoms IN     Atoms OUT     Atoms Lost
  C                 43.6000       0.0000      43.6000
  H                107.0000       0.0000     107.0000
  O                 51.4000       0.0000      51.4000
  N                  8.0000       8.0000       0.0000


We did not include water in this list given to the program and put in zeroes for all the terms we did not know. Now let's copy the flows shown in the display to an editor where we can add symbols for all unknowns:

     COMPOUND         MOLS IN     MOLS OUT
  CH4                  0.8000      CH4
  CO2                  7.6000      .438D
  CO                  35.2000      .002D       D=CH4+.44D+H2+4
  H2                  51.9000       H2
  N2                   4.0000      4.0000
  O2                   0.5000      0.0000
  H2O                  0.0000       W
           Total     100.0000      4 + CH4 + .44D + H2 + W
  Element           Atoms IN     Atoms OUT     Atoms Lost 
   C                43.6000      CH4+.44D     43.6 - CH4 - .44D
   H               107.0000     4CH4+2H2+2W   107 - 4CH4-2H2-2W
   O                51.4000      .878D+W      51.4 - .878D - W
   N                 8.0000      8.0000         0.000


The Atoms lost should be zero for all elements. Only nitrogen satifies this condition in our first execution of el1. We have three simultaneous equations to satisify to make the other balances zero. The relation shown for the total amount of dry gas give a fourth relation among the four unknowns. Here are the four equations:

     CH4  +  .440D                   =  43.6  <-- C balance
    4CH4  +           2H2    +  2W   = 107    <-- H balance
             .878D           +   W   =  51.4  <-- O balance
    -CH4  +  .560D  -  H2            =   4.0  <-- Dry gas relation


Here is a MATLAB session to solve these:

>> a=[ 1   0.44   0    0 
       4   0      2    2 
       0   0.878  0    1 
      -1   0.56  -1    0] 
a =
    1.0000    0.4400         0         0
    4.0000         0    2.0000    2.0000
         0    0.8780         0    1.0000
   -1.0000    0.5600   -1.0000         0
>> b=[43.6 107 51.4 4];
>> (a\b')'             
ans =
   21.8322   49.4723    1.8723    7.9633


or: CH4=21.8322, D=49.4723, H2=1.8723, and W=7.9633. We can test these values in the el1 program to find:

wsname% el1
____________________________________________________
el1 asks for the number of mols of each compound
 IN and OUT of a System and then its Formula.
A Table then gives the molar flows for all compounds
and a second Table gives the element Flows.
____________________________________________________

 Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            1 or stop to STOP.
0.8 21.8322 CH4
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            2 or stop to STOP.
7.6 21.6689 CO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            3 or stop to STOP.
35.2 .0989 CO
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            4 or stop to STOP.
51.9 1.8723 H2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            5 or stop to STOP.
0 7.9633 H2O
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            6 or stop to STOP.
4 4 N2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            7 or stop to STOP.
0.5 0 O2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            8 or stop to STOP.
stop
    Compound         Mols in     Mols out
 CH4                  0.8000     21.8322
 CO2                  7.6000     21.6689
 CO                  35.2000      0.0989
 H2                  51.9000      1.8723
 H2O                  0.0000      7.9633
 N2                   4.0000      4.0000
 O2                   0.5000      0.0000
           Total    100.0000     57.4356
 Element           Atoms IN     Atoms OUT     Atoms Lost
  C                 43.6000      43.6000       0.0000
  H                107.0000     107.0000       0.0000
  O                 51.4000      51.4000       0.0000
  N                  8.0000       8.0000       0.0000


There are two difficulties with the first element balance program. One difficulty is the requirement that you type in all data each time the program is executed. This may be fine for small problems, but it can be very cumbersome in analyzing programs with many feeds and products or that require many executions to find a satisfactory solution. A second difficulty is that all flows must be entered in molar units. We will eliminate the second of these in the program el2, and then at least alleviate the first problem in el3 by allowng the user to store all data in a file where it can be edited.

The Program: el2

The program el2 helps the user in problems that involve flows given in both mass and molar units. We will demonstrate the program by using it on Problem 4.15 in the text with a basis of 100 lb of the fuel oil:

wsname% el2
_____________________________________________________
el2 asks for the number of mols of each compound
 IN and OUT of a System and then its Formula.
When you finish giving molar flows, you can then give
 Mass flows; again IN, then OUT and finally Formula.
A Table then gives the molar and mass flows for all
 compounds as well as their molecular weights.
Finally a Table of element Flows is given.
_____________________________________________________

Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            1 or stop to give Mass flows.
0 0 N2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            2 or stop to give Mass flows.
0 0 O2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            3 or stop to give Mass flows.
0 0 SO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            4 or stop to give Mass flows.
0 0 CO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            5 or stop to give Mass flows.
0 0 H2O
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            6 or stop to give Mass flows.
stop
Give the mass IN and OUT then the FORMULA
 for COMPOUND            6 or stop to STOP.
84 0 C
Give the mass IN and OUT then the FORMULA
 for COMPOUND            7 or stop to STOP.
11.4 0 H
Give the mass IN and OUT then the FORMULA
 for COMPOUND            8 or stop to STOP.
1.4 0 N
Give the mass IN and OUT then the FORMULA
 for COMPOUND            9 or stop to STOP.
3.2 0 S
Give the mass IN and OUT then the FORMULA
 for COMPOUND           10 or stop to STOP.
stop
    Compound     Mol Wt       Mols in      Mols out  Mass in    Mass out
 N2              28.0134      0.0000      0.0000      0.0000      0.0000
 O2              31.9988      0.0000      0.0000      0.0000      0.0000
 SO2             64.0588      0.0000      0.0000      0.0000      0.0000
 CO2             44.0098      0.0000      0.0000      0.0000      0.0000
 H2O             18.0152      0.0000      0.0000      0.0000      0.0000
 C               12.0110      6.9936      0.0000     84.0000      0.0000
 H                1.0079     11.3106      0.0000     11.4000      0.0000
 N               14.0067      0.1000      0.0000      1.4000      0.0000
 S               32.0600      0.0998      0.0000      3.2000      0.0000
       TOTAL                 18.5040      0.0000    100.0000      0.0000
 Element          Atoms IN    Atoms OUT   Atoms Lost
  C                 6.9936      0.0000      6.9936
  H                11.3106      0.0000     11.3106
  N                 0.1000      0.0000      0.1000
  S                 0.0998      0.0000      0.0998
  O                 0.0000      0.0000      0.0000


Again 0's were put in where we had unknowns so that we can edit the result to show our element balances. Before doing so, we can see that 6.9936 + 0.25 11.3106 + 0.0998 mols of O2 will be needed in the theoretical air. Thus 47.2431 mols of air would be required for the answer to part a). For part b) our edited table looks like:

    Compound     Mol Wt       Mols in      Mols out 
 N2              28.0134       0.79A        N2     
 O2              31.9988       0.21A        O2     
 SO2             64.0588      0.0000        SO2    
 CO2             44.0098      0.0000        CO2
 H2O             18.0152      0.0000        W
 C               12.0110      6.9936      0.0000   
 H                1.0079     11.3106      0.0000   
 N               14.0067      0.1000      0.0000   
 S               32.0600      0.0998      0.0000   
       TOTAL                 18.5040      0.0000  
 Element          Atoms IN    Atoms OUT   Atoms Lost
  C                 6.9936      CO2      6.9936 - CO2
  H                11.3106      2W      11.3106 - 2W
  N              0.1 + 1.58A     2N2      0.1 + 1.58A - 2N2
  S                 0.0998       SO2      0.0998 - SO2
  O                 .42A   2O2+2SO2+W+2CO2 .42A - 2O2+2SO2+W+2CO2


From the SO2 composition in the dry gas:

64.06*SO2 = .004(64.06S*O2 + 28.01*N2 + 32.00*O2 + 44.01*CO2)


Thus, using three element balances:

SO2=.0998, W=5.6553, and CO2=6.9936.


from the remaining two element balances and the SO2 composition relation, we have the three equations in three unknowns:

28.01*N2 + 32.0*O2             = 1284.1  <-- SO2 composition
 2.00*N2           - 1.58*A    =    0.1  <-- N balance
         -  2.0*O2 + 0.42*A    =   19.84 <-- O balance


Solving (with MATLAB):

>> a=[28.01 32   0  
       2     0  -1.58 
       0   -2.002 .42] 
a =
   28.0100   32.0000         0
    2.0000         0   -1.5800
         0   -2.0020    0.4200
>> (a\[1284.1 .1 19.84]')' 
ans =
   43.8713    1.7270   55.4701


gave: N2=43.8713, O2=1.7270 and A=55.4701. With these in our flow table we see:

 wsname% el2
 _____________________________________________________
el2 asks for the number of mols of each compound
 IN and OUT of a System and then its Formula.
When you finish giving molar flows, you can then give
 Mass flows; again IN, then OUT and finally Formula.
A Table then gives the molar and mass flows for all
 compounds as well as their molecular weights.
Finally a Table of element Flows is given.
_____________________________________________________

Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            1 or stop to give Mass flows.
43.8214 43.8713 N2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            2 or stop to give Mass flows.
11.6487 1.727 O2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            3 or stop to give Mass flows.
0 .0998 SO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            4 or stop to give Mass flows.
0 6.9936 CO2
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            5 or stop to give Mass flows.
0 5.6553 H2O
Give the number of mols IN and OUT then the FORMULA
 for COMPOUND            6 or stop to give Mass flows.
stop
Give the mass IN and OUT then the FORMULA
 for COMPOUND            6 or stop to STOP.
84 0 C
Give the mass IN and OUT then the FORMULA
 for COMPOUND            7 or stop to STOP.
11.4 0 H
Give the mass IN and OUT then the FORMULA
 for COMPOUND            8 or stop to STOP.
1.4 0 N
Give the mass IN and OUT then the FORMULA
 for COMPOUND            9 or stop to STOP.
3.2 0 S
Give the mass IN and OUT then the FORMULA
 for COMPOUND           10 or stop to STOP.
stop
  Compound     Mol Wt      Mols in     Mols out   Mass in     Mass out
 N2            28.0134     43.8214     43.8713   1227.5864   1228.9842
 O2            31.9988     11.6487      1.7270    372.7444     55.2619
 SO2           64.0588      0.0000      0.0998      0.0000      6.3931
 CO2           44.0098      0.0000      6.9936      0.0000    307.7869
 H2O           18.0152      0.0000      5.6553      0.0000    101.8814
 C             12.0110      6.9936      0.0000     84.0000      0.0000
 H              1.0079     11.3106      0.0000     11.4000      0.0000
 N             14.0067      0.1000      0.0000      1.4000      0.0000
 S             32.0600      0.0998      0.0000      3.2000      0.0000
       TOTAL               73.9741     58.3470   1700.3307   1700.3076
 Element          Atoms IN    Atoms OUT   Atoms Lost
  N                87.7428     87.7426      0.0002
  O                23.2974     23.2961      0.0013
  S                 0.0998      0.0998      0.0000
  C                 6.9936      6.9936      0.0000
  H                11.3106     11.3106      0.0000



The % excess air was then: 100(55.4701-47.2431)/47.2431= 17.41.

The Program: el3

The program el3 allows the same operations as in el2, but with input data stored in a file. Here is a session to illustrate its use. First we establish a new file for the input data:

wsname% el3
_____________________________________________________
el3 performs just like el2, but it uses a file
 to store all data.  If you need to set up a new
 file, the program will give you a template to use.
 The data stored in the file includes: 
 the number of mols of each compound
 IN and OUT of a System and its Formula.
When you finish with molar flows, you can then give
 Mass flows; again IN, then OUT and finally Formula.
A Table then gives the molar and mass flows for all
 compounds as well as their molecular weights.
Finally a Table of element Flows is given.
_____________________________________________________

Give the name of your file or NEW to set up a new file.
new
Give the name to be used for your file:
tst4.6
Give the number of compounds that you want to give molar flows for:
3
Give the number of compounds that you want to give mass flows for:
2
Now you should edit your file: 
tst4.6                                                      
to put into it the compound Formula and flow rates.
When you have completed that and SAVED the file, hit a RETURN.


Now the file tst4.6 has in it:

The number of compounds with molar flows is =  3
For Compound Number:   1
The Formula is =
The Molar Flow Rate IN is =
The Molar Flow Rate OUT is =
*******************************
For Compound Number:   2
The Formula is =
The Molar Flow Rate IN is =
The Molar Flow Rate OUT is =
*******************************
For Compound Number:   3
The Formula is =
The Molar Flow Rate IN is =
The Molar Flow Rate OUT is =
*******************************
The number of compounds with mass flows is =  2
For Compound Number:   4
The Formula is =
The Mass Flow Rate IN is =
The Mass Flow Rate OUT is =
*******************************
For Compound Number:   5
The Formula is =
The Mass Flow Rate IN is =
The Mass Flow Rate OUT is =
*******************************

 

We edit the numbers in tst4.6 to make the file look like:

The number of compounds with molar flows is =  3
For Compound Number:   1
The Formula is =  Na2CO3
The Molar Flow Rate IN is = 1
The Molar Flow Rate OUT is = 0.25
*******************************
For Compound Number:   2
The Formula is = H2O
The Molar Flow Rate IN is = 10
The Molar Flow Rate OUT is = 8
*******************************
For Compound Number:   3
The Formula is = CO2
The Molar Flow Rate IN is = 5
The Molar Flow Rate OUT is = 6
*******************************
The number of compounds with mass flows is =  2
For Compound Number:   4
The Formula is = C
The Mass Flow Rate IN is = 15
The Mass Flow Rate OUT is = 18
*******************************
For Compound Number:   5
The Formula is = NaOH
The Mass Flow Rate IN is = 45
The Mass Flow Rate OUT is = 38
*******************************


Then we continue the execution of el3 by saving the data file and then hitting the RETURN key in response to:

When you have completed that and SAVED the file, hit a RETURN.

For our simulation we find:

    Compound   Mol Wt       Mols in      Mols out  Mass in      Mass out
 Na2CO3       105.9887      1.0000      0.2500    105.9887     26.4972
 H2O           18.0152     10.0000      8.0000    180.1520    144.1216
 CO2           44.0098      5.0000      6.0000    220.0490    264.0588
 C             12.0110      1.2489      1.4986     15.0000     18.0000
 NaOH          39.9971      1.1251      0.9501     45.0000     38.0000
       TOTAL               18.3739     16.6987    566.1898    490.6776
 Element          Atoms IN    Atoms OUT   Atoms Lost
  Na                3.1251      1.4501      1.6750
  C                 7.2489      7.7486     -0.4998
  O                24.1251     21.7001      2.4250
  H                21.1251     16.9501      4.1750


In order to eliminate the imbalances in the elements, we need to revise the input file, but that simply requires editing the file to change the parts that need revision. This is much simpler and faster than answering all the questions in the interactive programs el1 and el2.


Chapter 2: 2.1-2.5, 2.6, 2.7


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Last modified August 22, 1997.