Ch.
1 Mole Balances Chemical Reaction Engineering 2025
Chapter 1 Mole Balances
Chemical reactions
Chemical species : chemical components or elements.
Identity : determined by the kind, number and configuration of that species’ atoms.
Chemical reactions : chemical species have lost their identity and new form by a change in
the kind, number or configuration of these atoms.
Mass balance when a classical chemical reaction occurs.
※ Three basic ways of chemical reactions
‧Decomposition ‧Combination ‧Isomerization
N2 + O2 → 2 NO
※ Homogeneous & Heterogeneous Reactions
Homogeneous reactions occur in a single-phase (gas or liquid).
Heterogeneous reactions require the presence of two distinct phases.
Rate of reaction (intensive property)
Rate of reaction of a chemical species will depend on the local conditions (concentration,
temperature) in a chemical reactor.
For products, the rate of reaction can be defined as
* (homogeneous)
* (heterogeneous)
* (heterogeneous)
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Ch.1 Mole Balances Chemical Reaction Engineering 2025
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Ch.1 Mole Balances Chemical Reaction Engineering 2025
※ A + 2B → C + 3D
-rA : the disappearance rate of A Reactant: rA , rB : negative
rC : the formation rate of C Product : rC , rD : positive
For constant V and batch reactor,
Extent of reaction
aA+bB→cC+dD
Rate equation (rate law)
ri a function of the properties of the reacting materials and reaction condition and
independent of the type of reactors (Batch/PFR…)
ri = f (Ci, T, P or catalyst)
= k (T) f (Ci)
※ Volume variations in reaction process
(1) liquid phase reaction : constant V for batch, constant v for flow reactor
(2) gas phase reaction: i) no change in total number of moles with reaction
constant V for batch, constant v for flow reactor
ii) change in total number of moles with reaction
constant V or constant P for batch
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variable v for flow reactor
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Ch.1 Mole Balances Chemical Reaction Engineering 2025
※ The common industrial reactors
Batch reactor
Closed system, constant volume/constant pressure
unsteady-state, perfect mixing: no spatial variation
used for liquid phase, gas phase, liquid-solid
high conversion per unit volume,
flexibility of using for multiple reactions
high operating cost, small-scale operation: Pharmaceuticals, Fermentation
variable product quality
easy to clean
Continuous Flow Reactors
CSTR Continuous-stirred Tank Reactor / Backmix reactor
steady-state, perfect mixing,
no spatial variations in temperature and concentration
primarily liquid phase, gas-liquid, solid-liquid
good temperature control
series configuration possible
low conversion per unit volume, low operating cost
easy to clean
PFR Plug-flow Reactor / Tubular Reactor
steady-state, no back mixing, no radial variation.
concentration varies continuously in axial direction
primarily gas phase
high conversion per unit volume, low operating cost
undesired thermal gradient, poor temp. control
cleaning expensive
PBR (Packed-bed Reactor)
tubular reactor packed with solid catalyst particles
heterogeneous gas phase reaction with solid catalyst
gas phase (solid catalyst), gas-solid reaction
high conversion per unit mass of catalyst
low operating cost, poor temp. control
cleaning expensive
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Design equation of reactors
※ Mole balance
(mole/time)
◎ If is uniform,
◎ If varies with position in the system volume,
※ General mass balance equation
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※ Design equation
Batch reactor Assume well-mixing
◎ Constant volume (liquid, gas with ε = 0) ◎ Constant pressure (gas with ε≠0)
CSTR Assume steady-state, well-mixing
PFR Assume steady-state, no radial variations
PBR
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