CH4170:Catalyst Science and Technology

Course project – Jan-May 2014

SYNTHESIS OF AMMONIA USING IRON CATALYST

Harika (CH10B079), Srividya(CH11BO49)
Department of Chemical Engineering, IIT-Madras, Chennai – 600036, India

MOTIVATION BASE CASE (Fe CATALYST)

Why ammonia synthesis: Ammonia synthesis optimization is a Surface analysis:
topic of high interest in industry as the market continues to expand •Reaction rate was found to
and demand increases depend on orientation of
Why iron as catalyst: low price, high mechanical resistance, high ironic crystals. Catalytic
life expectancy of more than 10 years, highly porous material whose activities on surfaces depends
large surface area aids its effectiveness as a catalyst. The effect of on surface roughness and
surface orientation, on iron catalyst attracted us to research more on openness.
this •The most active planes from
What is Micro kinetic analysis: The examination of literature are (1,1,1) and Sticking coefficients:
catalytic reactions in terms of elementary steps and their relation (2,1,1) in bcc conformation. The sticking coefficients for
with each other during a catalytic cycle •Planes such as Fe(1,1,0) and atomic nitrogen on different
Goal of micro kinetics: To study the conditions under which Fe(1,0,0) has low roughness Fe catalyst faces increase in
data collected on single crystals in ultrahigh vacuum or on model and high work function order Fe(110) < Fe(100) <
powder catalysts at ambient pressures can be extrapolated to thereby representing low Fe(111), concluding that
describe the performance of a working catalyst under industrial catalytic activity where as Fe(111) surfaces assure the
conditions of temperature and pressure. Unfortunately, the kinetic Fe(1,1,1) is the most clean highest adsorption energy for
parameters of all possible elementary steps are not known for most plane with highest surface N2, and least activation
heterogeneous catalytic reactions. Thus, it is a strategy adopted roughness ,having high surface energy(19.41 kcal/mol) for
which involves construction of a serviceable reaction path that free energy and low work dissociation of N2(ads) to
captures the essential surface chemistry, and estimation of relevant function N(ads).
parameters for kinetically significant elementary steps

METHODOLOGY AND EQUATIONS ANALYSIS AND DISCUSSIONS

Worked Mechanism and Kinetics:

SELECTIVITY Plotting the graph between ln K

we could conclude that the
dissociative chemisorption of
PARAMETRIC
nitrogen is the rate limiting
STUDIES
step, a process which
requires two adjacent open
sites on the catalyst surface
and 1/T gives slope=-Ea/R and
intercept=ln k0. From the
equation mentioned and the
graph, we could find out all the
kinetics parameters, just by
knowing the temperature.

•Fe(1,1,1) plane is the most active plane having high surface free energy and large sticking coefficient.
•Parametric studies focus on formation of ammonia with change in rate constant and pressure maintained inside the
CONCLUSIONS reactor.
•Predicted conversions from reactor kinetics are little away from experimental results due to abnormalities associated in
adsorption on catalyst.

•We can explore more parameters involved on designing a Packed Bed reactor based on the optimum data generated from
FUTURE SCOPE
micro kinetic model.
•Conducting parametric studies and micro kinetic modeling using different catalysts

1)www.ausetute.com.au/haberpro.html
2)www.sciencedirect.com/science/article/pii/0021951782900161
3)authors.library.caltech.edu/25070/8/FundChemReaxEngCh7.pdf
REFERENCES 4)coecs.ou.edu/Richard.G.Mallinson/gradkinetics/pdf/Case%20Study%20106.pdf
5)www.kepu.dicp.ac.cn/photo/07sl02/Theoretical%20chemistry/chemical%20kinetics/Modeling%20of%20Chemical%20Kinetics%20
and%20Reactor%20Design%20-%20A.%20Kayode%20Coker.pdf
6)www.cem.msu.edu/~cem924sg/SandraBencic.pdf