Reactor Simulation

[ermorgan]

The way I approached this was to use the Vanden Bussche/Froment paper (1996) called "A Steady-State Kinetic Model for Methanol Synthesis and the Water Gas Shift Reaction on a Commercial Cu/ZnO/Al2O3 Catalyst". Just put the rate equations into the plug flow reactor. Don't use activation energies, etc. The process is tedious, but not terrible.

Eric

[arvind.prasad]

I am getting interested in the problem of Methanol synthesis reactor. I have done it in SCILAB. The paper I referred is "A SIMULATION STUDY OF AN INDUSTRIAL METHANOL REACTOR BASED ON SIMPLIFIED STEADY-STATE MODEL", Suzana Yusup*, Nguyen Phuong Anh & Haslinda Zabiri,IJRRAS 5 (3) ● December 2010.
I have coded the rate equations in the CORN reaction template. The temperature profile does not come out as expected.

Also I have had a look at the rate equations that you are referring to. They are I suppose the following paper
http://www.ijser.org/researchpaper%5CSi ... ed-bed.pdf
as equation 4 and equation 5. My guess is that you must have entered it in the template by clicking setting>reaction packs and then entering the expression.

Did you get the proper temperature profile?

The way I approached this was to use the Vanden Bussche/Froment paper (1996) called "A Steady-State Kinetic Model for Methanol Synthesis and the Water Gas Shift Reaction on a Commercial Cu/ZnO/Al2O3 Catalyst". Just put the rate equations into the plug flow reactor. Don't use activation energies, etc. The process is tedious, but not terrible.

Eric

[ermorgan]

Hello,

I did code the equations from the Vanden Bussche/Froment paper in CORN. You have to be careful of the units, as the paper uses bar and CORN uses Pa. Thus you need to convert to bar in CORN. Once I coded those equations, I was able to reproduce the graphs in Figure 5(a) and (b). This includes the temperature profile. I urge you to read the Vanden Bussche/Froment paper, as all other modern papers refer back to it, including the ones you included in your post.

Good luck.

e

[jasper]

I'd be happy to post (validated) flowsheets on the COCO example page. If you are interested in doing so, please fill in the Author fields, etc, of the fsd file and contact me by e-mail.

[ermorgan]

Jasper,

I'll put some finishing touches on the flowsheet and send it out when I'm done.

e

[arvind.prasad]

Hello,

I did code the equations from the Vanden Bussche/Froment paper in CORN. You have to be careful of the units, as the paper uses bar and CORN uses Pa. Thus you need to convert to bar in CORN. Once I coded those equations, I was able to reproduce the graphs in Figure 5(a) and (b). This includes the temperature profile. I urge you to read the Vanden Bussche/Froment paper, as all other modern papers refer back to it, including the ones you included in your post.

Good luck.

e

Thanks for all the suggestions that you and jasper have given. I have now solved the problem of methanol synthesis PFR based on the paper "A SIMULATION STUDY OF AN INDUSTRIAL METHANOL REACTOR BASED ON SIMPLIFIED STEADY-STATE MODEL", Suzana Yusup*, Nguyen Phuong Anh & Haslinda Zabiri,IJRRAS 5 (3) ● December 2010. The simulation results are the way it should be.
I had made an error in the units of the rate of reaction. I rectified it.

[jasper]

Glad to hear it works. Thank you.

[gunley]

Hi
I'm trying to simulate the PFR for the methane steam reforming. For kinetic expressions I'm using Xu kinetics, but I have a problem. When I'm typing the expression for the reaction rate I'm using activity of the components as their partial pressure. After solving the flowsheet I got an error, which says that activity cannot be calculated. After checking with flowsheet configuration I see that program has right, because there is no equation choosed for activity in the vapor phase, and any can't be choosed. And hence my qustion - can fugacity be used instead of activity in the formula syntax ?

[jasper]

You can now, if you update your CORN using COCO UPdate (CUP). The syntax is f("compound name").

[gunley]

Thanks for an answer
And thanks for this awesome process simulator. Where you thinking about adding some reaction data to the CORN ?