[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 483: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 112: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 112: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
[phpBB Debug] PHP Warning: in file [ROOT]/includes/bbcode.php on line 112: preg_replace(): The /e modifier is no longer supported, use preg_replace_callback instead
CAPE-OPEN • View topic - Problem in simulating Heterogeneous Reactor

Problem in simulating Heterogeneous Reactor

Discusses use of COCO, the process simulation and modelling software suite from AmsterCHEM, downloadable from http://www.cocosimulator.org

Moderator: jasper

Problem in simulating Heterogeneous Reactor

Postby antoinetonee » 16 November 2021, 03:57

Hi all,

I'm currently facing a problem in simulating heterogeneous reactor with user-defined reaction kinetic expression. The reactor converts NO, CO, and H2O into NH3 and N2, hence it has two reactions (namely NTA_NH3 and NTA_N2, respectively). My intention is to parametrize the dimension and inlet flow rate of the reactor. Disclaimer: the pressure was expressed in kPa, hence it was divided by 1000.

As seen in the attached .fsd file, the simulation for the particular base case worked just fine. However, the parametrization didn't work at all. The main error is "NTA_N2: negative base in power", so I suppose there is something wrong with the rate expression of N2 formation, which I cannot find. What does this error message mean? And does anybody have an idea to solve this problem?

Thanks in advance.
Attachments
rx_NO_CO_H2O_PtRutile_adiab_T_F_dimPar1_rct010_a.fsd
(112.58 KiB) Downloaded 2191 times
antoinetonee
 
Posts: 7
Joined: 14 October 2020, 13:49

Re: Problem in simulating Heterogeneous Reactor

Postby jasper » 16 November 2021, 07:32

User avatar
jasper
 
Posts: 1128
Joined: 24 October 2012, 15:33
Location: Spain

Re: Problem in simulating Heterogeneous Reactor

Postby jasper » 16 November 2021, 08:00

Re-checking your expression, it does go to zero in case X[nitric oxide] goes to zero - it is the only term in the numerator.

The negative rate of nitric oxide however is within integration tolerance. Perhaps try the solution with max(0, ... ) to avoid the negative value.
User avatar
jasper
 
Posts: 1128
Joined: 24 October 2012, 15:33
Location: Spain

Re: Problem in simulating Heterogeneous Reactor

Postby antoinetonee » 17 November 2021, 04:30

Attachments
Book2.xlsx
(11.8 KiB) Downloaded 2187 times
antoinetonee
 
Posts: 7
Joined: 14 October 2020, 13:49

Re: Problem in simulating Heterogeneous Reactor

Postby jasper » 17 November 2021, 07:52

Works for me if I just change X("Nitric oxide") into max(0,X("Nitric oxide")) in both reaction terms (2x each).
User avatar
jasper
 
Posts: 1128
Joined: 24 October 2012, 15:33
Location: Spain

Re: Problem in simulating Heterogeneous Reactor

Postby jasper » 17 November 2021, 07:54

that in fact makes all runs work:

Screenshot 2021-11-17 091411.png
Screenshot 2021-11-17 091411.png (166.89 KiB) Viewed 29896 times
User avatar
jasper
 
Posts: 1128
Joined: 24 October 2012, 15:33
Location: Spain

Re: Problem in simulating Heterogeneous Reactor

Postby antoinetonee » 18 November 2021, 03:18

antoinetonee
 
Posts: 7
Joined: 14 October 2020, 13:49

Re: Problem in simulating Heterogeneous Reactor

Postby jasper » 18 November 2021, 06:45

Glad to hear it.
User avatar
jasper
 
Posts: 1128
Joined: 24 October 2012, 15:33
Location: Spain


Return to COCO (AmsterCHEM)

Who is online

Users browsing this forum: No registered users and 4 guests

cron