Cb05tump ae6 v5.1 mech.def

From CMASWIKI
Jump to: navigation, search

cb05tump contains all the gas-phase reactions of cb05tucl_ae6_aq plus these additional reactions:


  • For rate constants with the form A/<PHOT>, k equals A times the photolysis rates, PHOT.
  • Units of rate constants give reactions rates in units of molecules cm-3 s-1. Note that T equals air temperature in degrees K in the below table.

Check the species table for the reactants and products added to the cb05tucl reactant and products.

Label Reaction Rate Const Notes Reference
<T01> FORM_PRIMARY + OH = OH 9.0E-12
<T02> FORM_PRIMARY + NO3 = NO3 5.8E-16
<T03> FORM_PRIMARY + O = O 3.4E-11*exp(-1600/T)
<T04> FORM_PRIMARY = 1.0/<HCHO_R_SAPRC99>
<T05> FORM_PRIMARY = 1.0/<HCHO_M_SAPRC99>
<TCL1> FORM_PRIMARY + CL = CL 8.2E-11*exp(-34/T)
<T06> ALD2_PRIMARY + OH = OH 5.6E-12*exp(270/T)
<T07> ALD2_PRIMARY + NO3 = NO3 1.4E-12*exp(-1900/T)
<T08> ALD2_PRIMARY + O = O 1.8E-11*exp(-1100/T)
<T09> ALD2_PRIMARY = 1.0/<CCHO_R_SAPRC99>
<TCL2> ALD2_PRIMARY + CL = CL 7.9E-11
<T10> BUTADIENE13 + OH = OH + 0.58*ACROLEIN 1.4E-11*exp(424./T)
<T11> BUTADIENE13 + O3 = O3 + 0.52*ACROLEIN 8.2E-15*exp(-2070./T)
<T12> BUTADIENE13 + NO3 = NO3 + 0.045*ACROLEIN 1.79E-13
<TCL3> BUTADIENE13 + CL = CL + 0.58*ACROLEIN 2.51E-10
<T14> ACROLEIN_PRIMARY + OH = OH 2.0E-11
<T15> ACROLEIN_PRIMARY + O3 = O3 2.61E-19
<T16> ACROLEIN_PRIMARY + NO3 = NO3 1.7E-11*exp(-3131./T)
<T17> ACROLEIN_PRIMARY = 1.0/<ACROLEIN_SAPRC99>
<TCL4> ACROLEIN_PRIMARY + CL = CL 2.37E-10
<T18> ACROLEIN + OH = OH 2.0E-11
<T19> ACROLEIN + O3 = O3 2.61E-19
<T20> ACROLEIN + NO3 = NO3 1.7E-11*exp(-3131./T)
<T21> ACROLEIN = 1.0/<ACROLEIN_SAPRC99>
<TCL5> ACROLEIN + CL = CL 2.37E-10
<T22> TOLU + OH = OH 1.8E-12*exp(355./T)
<TCL6> TOLU + CL = CL 6.1E-11
<T23> MXYL + OH = OH 1.7E-11*exp(116./T)
<TCL7> MXYL + CL = CL 1.4E-10
<T24> OXYL + OH = OH 1.22E-11
<TCL8> OXYL + CL = CL 1.5E-10
<T25> PXYL + OH = OH 1.3E-11
<TCL9> PXYL + CL = CL 1.5E-10
<T26> APIN + O = O 2.79E-11
<T27> APIN + OH = OH 1.2E-11*exp(440./T)
<T28> APIN + O3 = O3 6.3E-16*exp(-580./T)
<T29> APIN + NO3 = NO3 1.2E-12*exp(490./T)
<TCL10> APIN + CL = CL 4.7E-10
<T30> BPIN + O = O 2.81E-11
<T31> BPIN + OH = OH 7.51E-11
<T32> BPIN + O3 = O3 1.74E-15*exp(-1260./T)
<T33> BPIN + NO3 = NO3 2.81E-11
<TCL11> BPIN + CL = CL 5.3E-10
<HG1> HG + O3 = 0.5*HGIIAER + 0.5*HGIIGAS + O3 2.11E-18*exp(-1256.5/T)
<HG2> HG + CL2 = HGIIGAS + CL2 2.6E-18
<HG3> HG + H2O2 = HGIIGAS + H2O2 8.5E-19
<HG4> HG + OH = 0.5*HGIIAER + 0.5*HGIIGAS + OH 7.7E-14
<HG5> HG + CL + M = 0.5*HG + 0.5*HGIIGAS + M + CL 2.25E-33*exp(-680.0/T)