REACTOR NON-IDEALITY

Kinetics and Reactor Design

Finally we incorporate non-ideality.

nonisothermal

nonisothermal

nonisothermal

Plug flow reactor

isothermal

Continuouslystirred tank reactor

isothermal

Batch reactor

TRANSPORT EFFECTS

isothermal

homogeneous

Once the reaction mechanism is determined, we can

design a reactor.

Consider mass transport limitations.

REACTION MECHANISMS

heterogeneous

For favorable thermodynamic conditions, we can determine the reaction mechanism.

REACTION THERMODYNAMICS

Plug flow
reactor

Continuouslystirred tank
reactor

Batch reactor

isothermal

isothermal

isothermal

Kinetics and Reactor Design

Once the reaction mechanism is determined, we can

design a reactor.

homogeneous

REACTION MECHANISMS

For favorable thermodynamic conditions, we can determine the reaction mechanism.

REACTION THERMODYNAMICS

REACTION THERMODYNAMICS

Equilibrium constants

Rate constants

Vant Hoff equation

temperature
dependence of K
Relationship of
change in Gibbs free
energy and K

Thermodynamic variables

REACTION THERMODYNAMICS

Equilibrium constants

Rate constants

Thermodynamic variables

REACTION THERMODYNAMICS

Equilibrium constants

Rate constants

Vant Hoff equation

temperature
dependence of K
Relationship of
change in Gibbs free
energy and K
General equilibrium
constant
Forms of the
equilibrium
constant

Law of mass
action
Arrhenius
equation
temperature
dependence of k

Thermodynamic variables

REACTION THERMODYNAMICS

Equilibrium constants

Rate constants
ABC

A + BC

Transitio
n state
theory

AB + C

2AB = A + B

Thermodynamic variables

Collision theory

REACTION THERMODYNAMICS

Equilibrium constants

Rate constants

Vant Hoff equation

temperature
dependence of K
Relationship of
change in Gibbs free
energy and K
General equilibrium
constant
Forms of the
equilibrium
constant

Law of mass
action
Arrhenius
equation
temperature
dependence of k

Thermodynamic variables
Heat of reaction
from heats of
formation
Gibbs free energy
Temperature
dependence
of heat of
reaction

Plug flow
reactor

Continuouslystirred tank
reactor

Batch reactor

isothermal

isothermal

isothermal

Kinetics and Reactor Design

Once the reaction mechanism is determined, we can

design a reactor.

homogeneous

REACTION MECHANISMS

For favorable thermodynamic conditions, we can determine the reaction mechanism.

REACTION THERMODYNAMICS

REACTION MECHANISMS
homogeneous

Chain reactions

1. Initiation
2. Propagation
3. Termination
Bodenstein
steady state
approximation
(pseudo-steady
state
approximation)

Non-chain reactions
Limiting reactant
batch or continuous flow

constant volume

Long chain
approximation

Non-limiting reactant

batch or continuous flow

continuous flow only

continuous flow only

This delta involves only

reactants
stoichiometric
coefficients.

constant volume

Plug flow
reactor

Continuouslystirred tank
reactor

Batch reactor

isothermal

isothermal

isothermal

Kinetics and Reactor Design

Once the reaction mechanism is determined, we can

design a reactor.

homogeneous

REACTION MECHANISMS

For favorable thermodynamic conditions, we can determine the reaction mechanism.

REACTION THERMODYNAMICS

Batch reactor

Accumulation

In

Out

Generation
This is a rate of
consumption of a
reactant so there is an
implicit negative in rA.

Definition of conversion
Separate variables
Constant volume
Reactor sizing

Continuously-stirred tank reactor

Accumulation

In

Out

Generation
This is a rate of
consumption of a
reactant so there is an
implicit negative in rA.

steady state
and molar
flow rates
definition of
conversion
reactor sizing
Space time calculation

Plug flow reactor

Accumulation

In

Out

Generation
This is a rate of
consumption of a
reactant so there is an
implicit negative in rA.

Steady state
and molar
flow rates

Definition of conversion
Reactor sizing
Space time calculation

Continuously-stirred tank

reactor

Plug flow reactor

Perfect
mixing

No mixing

Continuously-stirred tank

reactor

Plug flow reactor

Perfect
mixing

No mixing