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I Need Help To Simulate Carbonylation Reaction


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#1 We R One

We R One

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Posted 01 September 2007 - 05:38 PM

hi

how u doing ?

first of all i'd like to thank u all if u r reading my topic

so here we r

i want to simulate a plug flow reactor on hysys carring the following reaction

Co + CH3OH --------> CH3OOCH

Carbon monoxide + Methanol ------> Methyle Formate

this reaction can be in equilibrium depending on the operation condition

but we want to run this reactor far a way from equilibrium to produce Methyle Formate as much as we can

the temperature of this reactor range between 60-100
and another range can be used 110-140

the pressure range between 25-65 bar

the catalyst used is potassium methoxide

the rate of forward reaction is given by this equation



the rate of backward reaction is given by this equation ....the part highlighted with red color



now for forward reaction A equal to >>>4.61E9

and activation energy can be calculated from this value 8133

by multply it by R=0.008314

activation energy would be 67.451 Kj per mol

for backward reactin

A=1.19E19

activation Energy = 139.57 Kj per mol

now i have used a catalytic reaction and i fed all this data to hysys

but the problem is

no production .....

pls have a look on the hysys file in the attachment

and help me on this

the reactor is running but there is no products

pls help me

thank u all

Attached Files



#2 joerd

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Posted 06 September 2007 - 10:20 AM

I really have a hard time reading your post. Can you please try to write plain English, not text-messaging style abbreviations?

I looked at your simulation file. You will have to double-check your units of measurement: is the reaction rate really in kgmole/m3-s, and concentrations in kgmole/m3?
You state that E=67.45 kJ/gmol (I didn't check your calculation) but the simulation file has 0.676 kJ/gmol. Similarly for the reverse reaction, you say it should be 139.57 kJ/gmol, but the file has 13.957 kJ/gmol.

Are you sure that the reactor length is 1 meter? It might be much longer, which will give you some conversion.

In any case, the reverse reaction as you have it seems to be much faster, so you cannot expect much conversion at this temperature. You can do a hand calculation for the equilibrium constant as a check.

#3 We R One

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Posted 07 September 2007 - 08:35 PM

first of all i'd like to thank u

i have change the uints ...and know there is a product

and as u said the at this temperature the conversion is too low

also the reactor size

now i have used a reactor size = 50 m in length

and 2.5 m in diameter

this gives 50% conversion >>>

thanks alot

have a nice day

#4 gonzo

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Posted 14 September 2007 - 10:59 AM

You really need something like gproms to do what you're trying to do. Simulators like Hysys and Pro/II do not handle catalytic or non-equilibrium reaction reaction well. It sounds as though you should be taking multicomponent diffusion into account as well if you want to get meaningful results.

Hope this helps




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