Three-body-collision reaction calc M

Tobi · December 16, 2015, 14:36

Dear all,

I am searching for literature or some website where I can find how the third-body-collision partner "M" is calculated. In my book I found that M is calculated as:

Code:

M = [H2] + 6.5[H2O] + 0.4[O2] + 0.4[N2] + 0.75[CO] + 1.5[CO2] + 3.0[CH4]

Is it in general that M is like that? If I check the chemkin file i also get enhanced (LOW,TROE) reaction. Here I see:

Code:

H+O2(+M)=HO2(+M)                             .5580E+13   .400       .0
 LOW/  .8400E+18   -.800       .0 /
TROE/     .5000        .1000E-29    .1000E+31            /
H2O/ 18.00/H2/  2.50/N2/  1.26/AR/   .80/HE/   .80/CO/  1.20/CO2/  2.40/

As far as I got it, I have to recalculate [M] with these coefficients or I am wrong?

Tobi · December 16, 2015, 17:09

Hi,

just to be more clear. In many reactions there are these additional lines that indicate the species + factor that has to be used for the calculation of [M] but sometimes there is no line. Here I am not sure which [M] I have to use?!

December 16, 2015, 14:36	Three-body-collision reaction calc M	#1
Tobi Super Moderator Tobias Holzmann Join Date: Oct 2010 Location: Tussenhausen Posts: 2,708 Blog Entries: 6 Rep Power: 51	Dear all, I am searching for literature or some website where I can find how the third-body-collision partner "M" is calculated. In my book I found that M is calculated as: Code: M = [H2] + 6.5[H2O] + 0.4[O2] + 0.4[N2] + 0.75[CO] + 1.5[CO2] + 3.0[CH4] Is it in general that M is like that? If I check the chemkin file i also get enhanced (LOW,TROE) reaction. Here I see: Code: H+O2(+M)=HO2(+M) .5580E+13 .400 .0 LOW/ .8400E+18 -.800 .0 / TROE/ .5000 .1000E-29 .1000E+31 / H2O/ 18.00/H2/ 2.50/N2/ 1.26/AR/ .80/HE/ .80/CO/ 1.20/CO2/ 2.40/ As far as I got it, I have to recalculate [M] with these coefficients or I am wrong? __________________ Keep foaming, Tobias Holzmann

December 16, 2015, 17:09		#2
Tobi Super Moderator Tobias Holzmann Join Date: Oct 2010 Location: Tussenhausen Posts: 2,708 Blog Entries: 6 Rep Power: 51	Hi, just to be more clear. In many reactions there are these additional lines that indicate the species + factor that has to be used for the calculation of [M] but sometimes there is no line. Here I am not sure which [M] I have to use?! __________________ Keep foaming, Tobias Holzmann

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