CFD Online Logo CFD Online URL
www.cfd-online.com
[Sponsors]
Home > Forums > Software User Forums > ANSYS > FLUENT

FLUENT13.0 imports CHEMKIN mechanism

Register Blogs Community New Posts Updated Threads Search

Reply
 
LinkBack Thread Tools Search this Thread Display Modes
Old   May 12, 2013, 03:00
Question FLUENT13.0 imports CHEMKIN mechanism
  #1
New Member
 
Zh
Join Date: Mar 2012
Posts: 17
Rep Power: 14
adsl17754 is on a distinguished road
Hi, all

I encountered a problem when I tried FLUENT13.0 to simualte a premix combustion problem, I imported a chemical mechanism from CHEMKIN (30 species and 50 reactions). When FLUENT started calculation, a warning "Truncation Error > Truncation error tolerance" always occured, even when the iteration time step size was reduced to 1e-10s. I don't think the iteration time step size needs to be that small. The mechanism I used was erc_nhep ( listed below), any suggestion is welcome.

--------------------------------------------------------------------------
erc_nhep mechanism:

elements
h c o n
end

species
nc7h16 o2 co2 h2o co h2 oh h2o2 ho2 h o
ch3o ch2o hco ch2 ch3 ch4 c2h3 c2h4 c2h5 c3h4 c3h5 c3h6 c3h7
c7h15-2 c7h15o2 c7ket12 c5h11co n2
end

reactions
nc7h16 + h = c7h15-2 + h2 4.380e+07 2.0 4760.0
nc7h16 + oh = c7h15-2 + h2o 9.700e+09 1.3 1690.0
nc7h16 + ho2 = c7h15-2 + h2o2 1.650e+13 0.0 16950.0
nc7h16 + o2 = c7h15-2 + ho2 2.000e+15 0.0 47380.0
c7h15-2 + o2 = c7h15o2 1.560e+12 0.0 0.0
c7h15o2 + o2 = c7ket12 + oh 4.500E+14 0.0 18232.712
c7ket12 = c5h11co + ch2o + oh 9.530e+14 0.0 4.110e+4
c5h11co = c2h4 + c3h7 + co 9.84E+15 0.0 4.02E+04
c7h15-2 = c2h5 + c2h4 + c3h6 7.045E+14 0.0 3.46E+04
c3h7 = c2h4 + ch3 9.600e+13 0.0 30950.0
c3h7 = c3h6 + h 1.250e+14 0.0 36900.0
c3h6 + ch3 = c3h5 + ch4 9.000e+12 0.0 8480.0
c3h5 + o2 = c3h4 + ho2 6.000e+11 0.0 10000.0
c3h4 + oh = c2h3 + ch2o 1.000e+12 0.0 0.0
c3h4 + oh = c2h4 + hco 1.000e+12 0.0 0.0
ch3 + ho2 = ch3o + oh 5.000e+13 0.00 0.
ch3 + oh = ch2 + h2o 7.500e+06 2.00 5000.
ch2 + oh = ch2o + h 2.500e+13 0.00 0.
ch2 + o2 = hco + oh 4.300e+10 0.00 -500.
ch2 + o2 = co2 + h2 6.900e+11 0.00 500.
ch2 + o2 = co + h2o 2.000e+10 0.00 -1000.
ch2 + o2 = ch2o + o 5.000e+13 0.00 9000.
ch2 + o2 = co2 + h + h 1.600e+12 0.00 1000.
ch2 + o2 = co + oh + h 8.600e+10 0.00 -500.
ch3o + co = ch3 + co2 1.570e+14 0.00 11800.
co + oh = co2 + h 8.987e+07 1.38 5232.877
o + oh = o2 + h 4.000e+14 -0.50 0.
h + ho2 = oh + oh 1.700e+14 0.0 875.
oh + oh = o + h2o 6.000e+08 1.30 0.
h + o2 + m = ho2 + m 3.600e+17 -0.72 0.
h2o/21./ co2/5.0/ h2/3.3/ co/2.0/
h2o2 + m = oh + oh + m 1.000e+16 0.00 45500.
h2o/21./ co2/5.0/ h2/3.3/ co/2.0/
h2 + oh = h2o + h 1.170e+09 1.30 3626.
ho2 + ho2 = h2o2 + o2 3.000e+12 0.00 0.
ch2o + oh = hco + h2o 5.563e+10 1.095 -76.517
ch2o + ho2 = hco + h2o2 3.000e+12 0.00 8000.
hco + o2 = ho2 + co 3.300e+13 -0.40 0.
hco + m = h + co + m 1.591E+18 0.95 56712.329
ch3 + ch3o = ch4 + ch2o 4.300e+14 0.00 0.
c2h4 + oh = ch2o + ch3 6.000e+13 0.0 960.
c2h4 + oh = c2h3 + h2o 8.020e+13 0.00 5955.
c2h3 + o2 = ch2o + hco 4.000e+12 0.00 -250.
c2h3 + hco = c2h4 + co 6.034e+13 0.0 0.
c2h5 + o2 = c2h4 + ho2 2.000e+10 0.0 -2200.
ch4 + o2 = ch3 + ho2 7.900e+13 0.00 56000.
oh + ho2 = h2o + o2 7.50E+12 0.0 0.
ch3 + o2 = ch2o + oh 3.80E+11 0.0 9000.
ch4 + h = ch3 + h2 6.600e+08 1.60 10840.
ch4 + oh = ch3 + h2o 1.600e+06 2.10 2460.
ch4 + o = ch3 + oh 1.020e+09 1.50 8604.
ch4 + ho2 = ch3 + h2o2 9.000e+11 0.00 18700.
ch4 + ch2 = ch3 + ch3 4.000e+12 0.00 -570.
c3h6 = c2h3 + ch3 3.150e+15 0.0 85500.0
end
adsl17754 is offline   Reply With Quote

Reply

Tags
chemkin, fluent, premix combustion


Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are Off
Pingbacks are On
Refbacks are On


Similar Threads
Thread Thread Starter Forum Replies Last Post
FLUENT and CHEMKIN mechanism diamondx FLUENT 12 September 12, 2019 06:09
Chemkin mechanism import of surface chemistry Claud FLUENT 2 August 5, 2013 08:03
Reverse rate parameters with CHEMKIN imports Kevin L FLUENT 1 June 27, 2013 04:22
[FLUENT] Reacting flow with CHEMKIN mechanism entropies ANSYS 0 December 25, 2011 01:04
unit conversion of pre-exponential factor A of chemkin mechanism in Fluent newbie FLUENT 5 November 14, 2010 05:44


All times are GMT -4. The time now is 18:16.