Development of a User Interface for Design

of SO2 Oxidation Fixed-Bed Reactors

SO2
+ COMSOL Conference 2015 SO3
SO2 Oxidation Catalysts O2 Boston, MA October 7-9 SO2 Oxidation Convertor

A. Nagaraj P. L. Mills
Department of Environmental Engineering Department of Chemical & Natural Gas Engineering
Texas A & M University - Kingsville Texas A & M University - Kingsville
Kingsville, TX, USA Kingsville, TX, USA

Introduction COMSOL Application Results

Sulfuric acid (H2SO4) is a very important commodity chemical since a nation's sulfuric acid User Interface Model Application
production is a good indicator of its industrial strength. A key reaction used to manufacture
H2SO4 involves the gas phase oxidation of SO2 to SO3 over solid catalysts. Development of Tabs
improved catalysts with higher activities at lower temperatures that can convert future
industrial process gas streams containing SO2 to SO3 at higher efficiencies is a challenge of
increasing importance from both an environmental and practical process perspective. Typical Input Results Panel
SO2 converter consists of four catalyst beds operated adiabatically with intercooling between
beds. The staged operation is needed due to the equilibrium limitation of the reaction.
Development of a plug-flow reactor (PFR) model is important for SO2 oxidation because the
PFR is an ideal reactor and thus it produces the maximum adiabatic temperature rise and
conversion. The temperature and conversion values from a PFR model can be used as a
reference for a non-ideal fixed-bed catalytic model.

Objectives
• Develop a 1-D adiabatic plug flow reactor model for SO2 oxidation reaction for all four passes
Gas Temperature, SO2 Conversion, Species Molar Ratio
for typical operating conditions using COMSOL Reaction Engineering Lab 3.5a.
and Reaction Rate Profiles
• Develop
a graphical user interface that allows end-users to study the effect of various design
Reactor Bed Temperature
parameters on reactor performance.

• Illustrate
how COMSOL can be used to minimize the effort on setting up the problem so that
more time can be allocated on understanding the interaction of various multiphysics.

Rxn Engg Lab Result COMSOL App Result

1-D Adiabatic Plug Flow Reactor
SO2 Changing concentration
A “plug”

Reactor
Direction of
Axial Flow

Reactor
Reactant Conversions
Model
Next Volume Segment
SO2 Conversion SO2 Conversion
Transport - Kinetics Model Rxn Engg Lab Result COMSOL App Result
X SO2 rSO2  b M t
Mass Balance :
* 
z GY0,SO2 O2 Conversion O2 Conversion

T rSO2 (- H SO2 )  b
Energy Balance*: 
z GC Pmix
Species Molar Ratios
SO2 SO2
P 1 -  b G 2  150(1   ) 
Momentum Balance*:  3 1.75  b  Rxn Engg Lab Result COMSOL App Result
z  b d p g gc  Re 
 p 
O2 O2
Reference: Azizollah Nodehi, Mohammad Ali [Link] Engineering Technology,
2006. 29(1): p. 84-90.
 p 
k1 p O2 pSO2 1 - SO3 
SO2 Oxidation  p
 SO2 p O2 K P


SO3 SO3
r
Kinetics: 22.4141  K 2 p SO2  K 3 p SO3 2

(Collina et al, 1971) T = 420 to 590oC

Reaction Rate
Reaction Engineering Lab Model
Model Setup Results Rxn Engg Lab Result COMSOL App Result

Conclusions
• The 1-D adiabatic plug flow reactor model originally simulated using COMSOL Reaction Engineering Lab 3.5a was
successfully recreated using COMSOL Application Builder. This allows end-users of the model simulation to study
the effect of various system parameters on reactor performance as part of reactor design analysis.
• This application reduces the complexity involved in the COMSOL reactor model setup by end-users while also
allowing flexibility in adding additional advanced features to the App as these are developed.

Excerpt from the Proceedings of the 2015 COMSOL Conference in Boston