Material Balance

Reactive Systems

PART 2
Content

qMultiple reactions, yield and selectivity

qBalances on reactive processes
Multiple reactions, yield and selectivity
When process involve several reaction equations you might
need to determine yield or selectivity of your product.

moles of desired product

Yield  X100%
moles of product that would be formed if (no side reactions) &
(the limiting reactant were completely consumed)

moles of desired product

Selectivity 
moles of undesired product formed
Multiple reactions, yield and selectivity
(con’t)

C 2H 6  C 2H 4  H 2
Multiple reaction equations
C 2 H 6  H 2  2 CH 4

Please try Example 4-6-3

COMBUSTION REACTIONS
q Partial @ incomplete combustion produce H2O and CO
q Complete combustion produce H2O and CO2
q Examples:

C  O 2  CO 2
C 3 H 8  5O 2  3CO 2  4H 2O
C 3 H 8  72 O 2  3CO  4H 2O
CS 2  3O 2  CO 2  2S 2O
N 2  O2  2NO
NO  21 O 2  NO 2
(complete combustion )
( complete combustion )
( partial combustion )
( complete combustion )
( partial combustion )
( complete combustion )
Balances on reactive processes
q Molecular species balances: 0
Input + generation – output – consumption = accumulation

continous system
Example:
40 kmol H2/min
100 kmol C2H6/min C 2H 6  C 2H 4  H 2
n1 kmol C2H6/min
n2 kmol C2H4/min

Molecular H2 balance : generation = output

generation = 40 kmol/min
Molecular C2H6 balance: input = output + consumption
100 = n1 + consumption
Molecular C2H4 balance: generation = output
generation = n2

Note: n1 and n2 can be determined once percent convertion or consumption of C2H6 is known.
Balances on reactive processes
q Molecular species balances (con’t):

DOF
+ no unknown variables
- no. independent chemical reactions
- no. independent molecular species balances
- no. other equations relating unknown variables
= DOF
Balances on reactive processes
q Atomic balance:
Input = Output

Example:

100 kmol C2H6/min 40 kmol H2/min

C 2H 6  C 2H 4  H 2
n1 kmol C2H6/min
n2 kmol C2H4/min

C balance: input = output

100 kmol C2H6 2 kmol C  n (kmol C 2H6 ) 2 kmol C   n 2 (kmol C 2H4 ) 2 kmol C 
x  1 x  x 
min 1 kmol C2H6  min 1 kmol C2H6   min 1 kmol C 2H4 
100  n 1  n 2

H balance: input = output

100 kmol C 2H6 6 kmol H  40 kmol H2 2 kmol H   n1(kmolC2H 6 ) 6 kmol H   n 2 (kmolC2H 4 ) 4 kmol H 
x  x  x  x 
min 1 kmol C 2H6  min 1 kmol H2   min 1 kmol C 2H6   min 1 kmol C 2H4 
600  80  6n1  4n 2

Note: with 2 unknown and 2 independent equations, n1 and n2 can be determined.

Balances on reactive processes
q Atomic species balances (con’t):
DOF
+ no unknown variables
- no. independent atomic species balances
- no. other equations relating unknown variables
= DOF
Balances on reactive processes
q Extent of reaction balance:
Input = Output
Example: 3
CH4  O 2  CO  2H2O 1
2
CH4  2O 2  CO2  2H2O 2
Determine the extent of reaction equation for each molecular species
n A( final)  n A(initial)  1

CH4 : n CH4( final)  n CH4(initial)  1   2

3
O 2 : n O2( final)  n O2(initial)  1  2 2
2
 
CO : nCO( final)  nCO(initial)  1
CO2 : n CO2  n CO (initial)   2
( final) 2

H2O : n H2O( final)  n H2O(initial)  21  2 2

Identify the known variables and solve the balances accodingly

Balances on reactive processes
q Extent of reaction balances
DOF
+ no unknown variables
+ no. independent chemical reaction equation
- no. independent extent of reaction for reactive species
- no. independent extent of reaction for nonreactive species
- no. other equations relating the unknown variables
= DOF
Try the following examples in your text book:

q Example 4.7-1.
END OF PART 2