N A 0 − N A N A 0 /V t − N A /V t

XA = =
N A0 N A 0 /V t

and if Vt is constant,

C AO − C A
XA = [constant Vt ]
C AO

Substituting into the ideal batch reactor equation gives

dX A
− C A0 = ri [constant Vt ]
dt

Example. A → B + C (elementary, constant volume reaction). The rate expression can

then be written as

rA = − kC A = − kC A0 (1 − x A )

where CA = CA0(1 - XA). Therefore,

dX A
− C A0 = − kC A0 (1 − X A )
dt

Integrating with the boundary condition XA = 0 at t = 0, gives

-ln (1 - XA) = kt [constant Vt ]

Given a rate constant k and a desired conversion, the time for the batch reaction can be
calculated.

b. Variable Volume Batch Reactors. In general, the equations developed previously

assumed constant volume or constant density. For gas-phase reactions such as A + B = C,
the total number of moles decrease, and the volume (or density) changes.
Our ideal batch reactor equation, written in terms of any reactant A, can be changed to
reflect a change in volume. For example,

dN A
− rA = − t = −
(
d C AV t )
V dt V t dt
or
 1 V t dC C A dV t 
− rA = − t  A + 
V  dt dt 
or
dC C dV t 
− rA = −  A + A 
 dt V t dt 

From thermodynamics, assuming ideal solutions, we can derive an expression relating the
volume at any conversion with the original volume,

  N A0 ∑ viVi  
V t = V0t  1 +   X 
  v V0t  A 
  A  

where Vi is the molar specific volume of component i. This expression is usually

simplified by defining an expansion factor in terms of any reactant; for A,

N A 0 ∑ v i Vi
EA ≡
v A V0t
and
Vt = Vt0 (1 + EAXA)

This changes the ideal batch reactor equation to

C A0 dX A
− rA =
1 + E A X A dt
where
C A 0 ∑ v i Vi
EA ≡
vA

and assumes constant temperature, pressure, and ideal solutions.

For the special case of an ideal gas mixture,

YA 0 P RT
C A0 = and Vi =
RT P

which leads to an easy formula to calculate the change in volume factor.

YA 0 v
EA =
vA