Finding the –rA

= f (X) if you
CHAPTER 3: are not given
experimental
Rate Law and data!

Stoichiometry (continue…)
Objective:
1. PART 1: To define a rate law that relates the rate of reaction &
concentrations of reacting species & temperature.
2. PART 2: To define concentrations for flow & batch systems & developed a
stoichiometric table in order to write concentrations as a function of
conversion
3. Use Part 1 & 2 to write the rate of reaction as function of conversion &
design reaction systems as in Chap 2.
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Previous Lecture:

3.1 Basic Definitions

3.1.1 Relative Rates of Reaction
3.2 The Reaction Order and The Rate Law
3.2.1 Power Law Models and Elementary Rate Laws
3.2.2 Nonelementary Rate Laws
3.3.3 Reversible Reactions
3.3 The Reaction Rate Constant
3.4 Present Status of Our Approach to Reactor Sizing
and Design

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Today’s Lecture

3.5 Batch Systems

3.5.1 Equations for Batch Concentrations

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 PART 2:
Stoichiometry

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Reaction Engineering
-Need to express –rA = f (X) through concentration

Stoichiometric table

And relative rates of reaction

Take species A as basis (i.e. limiting reactant), divide

through stoichiometric coefficient A

Develop stoichiometric relationship (i.e. A, B, C and D).

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 3.5 Batch Systems

No of moles of A remained in the reactor after the

conversion X achieved

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To determine no. of moles for each species remaining after
NA0X moles of A reacted

To calc. no of species B remaining;

Prepare Stoichiometric Table:

• Column 1: The species
• Column 2: The no of moles of each species initially present
• Column 3: The change in the no of moles brought about by rxn
• Column 4: The no of moles remaining in system at time t
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Table 3.3
for this rxn

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 ….Last column of Table 3-3

Measure the change in the

total no of moles per mole of
A reacted

Let,

Total no of moles;

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 3.5.1 Equations for Batch Concentrations
Concentration of A

Similarly for B, C and D

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Simplify further by defining  ,

We need V (X)
to obtain Cj =
hj (X)
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 3.5.2 Constant Volume Batch Reaction System
Gas-phase system:
• Sealed constant-volume vessel
No change • Water-gas shift rxn (same no of moles for product &
in Volume reactant)

Liquid-phase:
• Solvent dominates (change in density of solute do not affect
overall density of soln)

For constant vol. system, Eqn 3-25 can be further simplified;

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For liquid-phase rxn:

From Eqn 2-2, we have

-rA = kCACB We want to express this in –rA = f(X)

Therefore;

From Eqn 3-26

If k, CA0, and B are known, use techniques in Chap 2 to size reactors

(for liquid-phase rxn).

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Consider this example! Expressing Cj = hj
(X) for a Liquid-
Phase Reaction
Example 3-2

Saponification for soap production:

Let X be the conversion of NaOH, set up stoichiometry table expressing the concentration
of each species in terms of initial concentration and conversion, X.

Solution:

Divide stoichiometric coefficient;

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Liquid phase (hence  = constant), volume constant therefore V = V0)

The stoichiometric table:

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