SUPERPRO-BASED AMMONIA
PLANT RETROFIT
REACTOR OPTIMIZATION THROUGH ASPEN ASSISTANCE
NORTH CAROLINA STATE UNIVERSITY
DEPARTMENT OF CHEMICAL ENGINEERING
SPRING 2004
R. BARNHILL
E. FABRICIUS
A. HERRMANN
D. JONES
PROJECT OVERVIEW
Objective: make 3000 metric tons of liquid
ammonia per day
Two options for SuperPro simulation
Single-pressure process
Dual-pressure process
Compare and contrast
Economics (capital and operational)
Environmental (emissions and solid/liquid)
Determine the most profitable process
KINETICS SUPPLIED
Equation:
Constants:
K
1
= k
01
exp(-E
1
/RT)
K
2
= k
02
exp(-E
2
/RT)
K
01
= 1.78954*10
4
kgmol/m
3
-hr-atm
1.5
K
02
= 2.5714*10
16
kgmol-atm
0.5
/m
3
-hr
E
1
= 20,800 kcal/kgmol
E
2
= 47,400 kcal/kgmol
= 9
) 1 (
/
3
2
3
5 . 1
2
2
3
2
5 . 1
2
1
3
N
H NH H
N
P K
P P K P P K
fK
CHALLENGES WITH SUPERPRO
Rate equation proves
to be incompatible
with given data
SuperPro only accepts
simplified kinetics
However, SuperPro
offers extent of reaction
option
ASPEN THEORY
Supply SuperPro with extent of reaction
Optimize through analysis of critical parameters that affect
the rate of reaction
Advantages
Basic Aspen simulation with one piece of equipment
Aspen supports supplied kinetics
Disadvantages
Basic knowledge of Aspen required
Iterative process between two simulation systems
ASPEN SIMULATION: STEP 1
Setup Aspen to run
ammonia reaction with
supplied kinetics
ASPEN SIMULATION: STEP 2
Run simulations varying critical parameters
Temperature
Pressure
Reactor Size
Composition of inlet stream
Study the relationship between the different
parameters of the reaction
Plotting the information and studying trends
works well
ASPEN SIMULATION: STEP 3
Simulate the reactor at an initial
composition obtained
Record SuperPro required Data
Temperature
Pressure
Reactor Size
Extent of Reaction
SUPERPRO SIMULATION: STEP 1
Plug the results from Aspen reactor
simulation into SuperPro simulation (shown
on next two slides)
Conduct mass and energy balances
SUPERPRO SIMULATION: STEP 1a
Set Aspen operating
temperature of the
reactor
SUPERPRO SIMULATION: STEP 1b
Set the extent of
reaction that agrees
with the Aspen data
SUPERPRO SIMULATION: STEP 2
Study the effects that the new outlet stream
(from the reactor) has on the inlet stream
Take new inlet stream data and plug back
into Aspen and re-run the simulations
This step is the final step in the cycle between
Aspen and SuperPro this cycle is to be
repeated several times until optimal results are
obtained
SUMMARY AND KEY POINTS
Iterations between Aspen and SuperPro require
the use of multiple sets of data
Keep accurate records
Optimize the system based on costs
Cost of pressurizing the feed stream
Cost of compressors
Energy cost of the compressors
Cost of cooling the reactor to the optimal temperature
Cost of the reactor (size dependent)