# CHE 4253

Aspen Homework #1, due Tuesday, November 1st, 2016
Homework Submission Guidelines: Submit ONE Word or PDF file with the requested values and tables, along with
a separate Aspen simulation file (compound file type) for each problem all combined in ONE compressed (zipped)
folder. Homework files must be submitted to the D2L Dropbox by Midnight on the due date. *Failure to follow the
above guidelines may result in loss of all credit for the assignment.

Problem #1, PBR (60% credit)
Part A: The following theoretical vapor-phase reaction takes place in an industrial packed bed reactor:
??(?) + ?2?(?) → ??2(?) + ?2(?)

?( ???? ?3 ∗ ? ) = ?0 ∗ ?

Kinetic parameters: ?? = 15500 ?? ???? ;

-??/ ??

?0 = 1 ∗ 10−5;

∗???2(???)??2?(???)
?=0

[This reaction can be well approximated with the Peng-Robinson equation of state]
This reaction takes place in a well-insulated packed bed reactor containing 50 tubes, each 50 ft in length
and 1 ft in diameter. The catalyst particles within the reactor have a density of 2.5 g/cc, and the packing
of this catalyst within the reactor results in a bulk density of 1.75 g/cc. This catalyst minimum pressure
drop across the reactor is 12 psi.
The inlet to the reactor is 8 kmol/min of 45 mol% CO (remainder water) at a temperature and pressure
of 425 °C and 15 bar, respectively. Simulate this in Aspen.
What is the temperature at the outlet of the reactor? What conversion is achieved? What is the
remaining water fraction in the outlet?
Part B: Next you realize that the products can be theoretically carried out to produce Methanol and
preform reaction kinetics to find the necessary equilibrium constants and reaction rate.
CO2(g) + 3H2 (g)  CH3OH (g) + H2O (g)
Kinetic Parameters: EA2=61.1 kJ mol-1 k0= 90.4 * 10-(1.40+.26);

n= 0 @ reference temperature 240C

You ideally separate the water and carbon monoxide (Add constraint) from the product stream and
assume that the same packed-bed designed before can be utilized for this reaction.
What conversion is achieved when the inlet to the second packed-bed equals the same exit temperature
as the outlet from part a? How would you increase this conversion?
Submit a stream table containing mole AND mass flows, and mole AND mass fractions of all components