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reaction engineering

reaction engineering

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Published by: api-19663164 on Nov 26, 2009
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03/18/2014

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Analysis and Design of Chemical Reactors I
1. Introduction

Chemical reactors are the main components of chemical plants. They are employed in most processes in petroleum, petrochemical, chemical, biochemical, pharmaceutical and electronic industries. The most frequently used reactor is the catalytic converter. The objective of the analysis and design of chemical reactors is to achieve several critical measures of performance:

\u2666Selective production of desired products at maximum productivity
\u2666Process and product safety
\u2666Environmentally compatible processes and products
\u2666Minimization of waste generation
\u2666Minimization of investment
\u2666Minimization of energy consumption
\u2666Operability and control

Design of reactors require detailed consideration of various topics:
\u2666Stoichiometry of reactions
\u2666Thermodynamics \u2013 calculation of chemical equilibrium, heat of
reaction, phase equilibrium, physical and thermodynamic properties
\u2666Transport phenomena \u2013 calculation of fluid flow, pressure drop,
heat transfer, mass transfer between phases and diffusion
1
\u2666Kinetics \u2013 expressions of the rates of reaction as a function of
concentration and temperature
The scale of chemical reactors in the framework of related topics is
described in Figure 1.
Figure 1. Length and time scale of chemical reactors
Stoichiometry

Stoichiometric coefficients are determined arbitrarily as long as the chemical reactions are balanced. Usually, the coefficient of the limiting reactant is normalized to unity. Lets take the following example:

C2H4 + 0.5O2\ue000 C2H4O
(1.1)
C2H4 + 3O2\ue000 2CO2 + 2H2O
(1.2)
Those reactions can be expressed as:2
The stoichiometric coefficients in this example are given in the matrix:
i
j
C2H4 , 1
O2, 2
C2H4O, 3
CO2, 4
H2O, 5
1
-1
-0.5
1
0
0
2
-1
-3
0
2
2
Parameters that are used to quantify the progress of the reaction, extent of
reaction\u03bei and conversion xj are defined as:
\u2666
( )
4
.
1
0
,
ij
ij
ij
i
N
N
\u03b1
\u03be
\u2212
=
\u2666
( )
5
.
1
0
0
j
j
j
j
N
N
N
x
\u2212
=

Nij is the number of moles. The extent of reaction is identical for all components in a specific reaction, while conversion is defined only for the reactants. Similar definitions are given for continuous reactors in terms of the molar flowrate Fij. The definition in equations (1.4) and (1.5) are used to calculate the number of moles or the molar rate of component j:

( )
( )
7
.
1
'
6
.
1
0
0
\u2211\u2211
+
=
+
=
i
i
ij
j
j
i
i
ij
j
j
F
F
N
N
\u03be
\u03b1
\u03be
\u03b1
3
( )
3
.
1
0
=
\u2211j
j
ijA
\u03b1

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