Complex rate coefficients
The following are complex rate coefficients used in the mechanism. Please refer to this IUPAC Guide for information on how these are defined.
KFPAN: (source: IUPAC 2014 - ROO_14_CH3CO3_NO2_M)
| Name |
MCM Rate |
| FCC |
\(\ce{0.30}\) |
| KC0 |
\(\ce{3.28\times10^{-28}*M*({\frac{{T}}{300}})^{-6.87}}\) |
| KCI |
\(\ce{1.125\times10^{-11}*({\frac{{T}}{300}})^{-1.105}}\) |
| KRC |
\(\ce{{\frac{{KC0}}{{KCI}}}}\) |
| NC |
\(\ce{0.75-1.27*(\log_{10}({FCC}))}\) |
| FC |
\(\ce{10^{\log_{10}({FCC})/(1+(\log_{10}({KRC})/{NC})^{2})}}\) |
| KFPAN |
\(\ce{({KC0}*{KCI})*{FC}/({KC0}+{KCI})}\) |
KBPAN: (source: IUPAC 2014 - ROO_15_CH3C(O)O2NO2_M)
| Name |
MCM Rate |
| FCD |
\(\ce{0.30}\) |
| KD0 |
\(\ce{1.10\times10^{-05}*M*\exp({\frac{-10100}{{T}}})}\) |
| KDI |
\(\ce{1.90\times10^{17}*\exp({\frac{-14100}{{T}}})}\) |
| KRD |
\(\ce{{\frac{{KD0}}{{KDI}}}}\) |
| NCD |
\(\ce{0.75-1.27*(\log_{10}({FCD}))}\) |
| FD |
\(\ce{10^{\log_{10}({FCD})/(1+(\log_{10}({KRD})/{NCD})^{2})}}\) |
| KBPAN |
\(\ce{({KD0}*{KDI})*{FD}/({KD0}+{KDI})}\) |
KBPPN: (source: IUPAC 2003 - ROO_16_C2H5CO3NO2_M)
| Name |
MCM Rate |
| FCPPN |
\(\ce{0.36}\) |
| KPPN0 |
\(\ce{1.7\times10^{-03}*\exp({\frac{-11280}{{T}}})*M}\) |
| KPPNI |
\(\ce{8.3\times10^{+16}*\exp({\frac{-13940}{{T}}})}\) |
| KRPPN |
\(\ce{{\frac{{KPPN0}}{{KPPNI}}}}\) |
| NCPPN |
\(\ce{0.75-1.27*(\log_{10}({FCPPN}))}\) |
| FPPN |
\(\ce{10^{\log_{10}({FCPPN})/(1+(\log_{10}({KRPPN})/{NCPPN})^{2})}}\) |
| KBPPN |
\(\ce{({KPPN0}*{KPPNI})*{FPPN}/({KPPN0}+{KPPNI})}\) |
KMT01: (source: IUPAC 2012 - NOx1_O_NO)
| Name |
MCM Rate |
| FC1 |
\(\ce{0.85}\) |
| K10 |
\(\ce{1.0\times10^{-31}*M*({\frac{{T}}{300}})^{-1.6}}\) |
| K1I |
\(\ce{5.0\times10^{-11}*({\frac{{T}}{300}})^{-0.3}}\) |
| KR1 |
\(\ce{{\frac{{K10}}{{K1I}}}}\) |
| NC1 |
\(\ce{0.75-1.27*(\log_{10}({FC1}))}\) |
| F1 |
\(\ce{10^{\log_{10}({FC1})/(1+(\log_{10}({KR1})/{NC1})^{2})}}\) |
| KMT01 |
\(\ce{({K10}*{K1I})*{F1}/({K10}+{K1I})}\) |
KMT02: (source: IUPAC 2005 - NOx3_O_NO2_M)
| Name |
MCM Rate |
| FC2 |
\(\ce{0.6}\) |
| K20 |
\(\ce{1.3\times10^{-31}*M*({\frac{{T}}{300}})^{-1.5}}\) |
| K2I |
\(\ce{2.3\times10^{-11}*({\frac{{T}}{300}})^{0.24}}\) |
| KR2 |
\(\ce{{\frac{{K20}}{{K2I}}}}\) |
| NC2 |
\(\ce{0.75-1.27*(\log_{10}({FC2}))}\) |
| F2 |
\(\ce{10^{\log_{10}({FC2})/(1+(\log_{10}({KR2})/{NC2})^{2})}}\) |
| KMT02 |
\(\ce{({K20}*{K2I})*{F2}/({K20}+{K2I})}\) |
KMT03: (source: IUPAC 2012 - NOx31_NO2_NO3)
| Name |
MCM Rate |
| FC3 |
\(\ce{0.35}\) |
| K30 |
\(\ce{3.6\times10^{-30}*M*({\frac{{T}}{300}})^{-4.1}}\) |
| K3I |
\(\ce{1.9\times10^{-12}*({\frac{{T}}{300}})^{0.2}}\) |
| KR3 |
\(\ce{{\frac{{K30}}{{K3I}}}}\) |
| NC3 |
\(\ce{0.75-1.27*(\log_{10}({FC3}))}\) |
| F3 |
\(\ce{10^{\log_{10}({FC3})/(1+(\log_{10}({KR3})/{NC3})^{2})}}\) |
| KMT03 |
\(\ce{({K30}*{K3I})*{F3}/({K30}+{K3I})}\) |
KMT04: (source: IUPAC 2012 - NOx32_N2O5)
| Name |
MCM Rate |
| FC4 |
\(\ce{0.35}\) |
| K40 |
\(\ce{1.3\times10^{-3}*M*({\frac{{T}}{300}})^{-3.5}*\exp({\frac{-11000}{{T}}})}\) |
| K4I |
\(\ce{9.7\times10^{+14}*({\frac{{T}}{300}})^{0.1}*\exp({\frac{-11080}{{T}}})}\) |
| KR4 |
\(\ce{{\frac{{K40}}{{K4I}}}}\) |
| NC4 |
\(\ce{0.75-1.27*(\log_{10}({FC4}))}\) |
| F4 |
\(\ce{10^{\log_{10}({FC4})/(1+(\log_{10}({KR4})/{NC4})^{2})}}\) |
| KMT04 |
\(\ce{({K40}*{K4I})*{F4}/({K40}+{K4I})}\) |
KMT07: (source: IUPAC 2012 - NOx12_HO_NO)
| Name |
MCM Rate |
| FC7 |
\(\ce{0.81}\) |
| K70 |
\(\ce{7.4\times10^{-31}*M*({\frac{{T}}{300}})^{-2.4}}\) |
| K7I |
\(\ce{3.3\times10^{-11}*({\frac{{T}}{300}})^{-0.3}}\) |
| KR7 |
\(\ce{{\frac{{K70}}{{K7I}}}}\) |
| NC7 |
\(\ce{0.75-1.27*(\log_{10}({FC7}))}\) |
| F7 |
\(\ce{10^{\log_{10}({FC7})/(1+(\log_{10}({KR7})/{NC7})^{2})}}\) |
| KMT07 |
\(\ce{({K70}*{K7I})*{F7}/({K70}+{K7I})}\) |
KMT08: (source: IUPAC 2012 - NOx13_HO_NO2)
| Name |
MCM Rate |
| FC8 |
\(\ce{0.41}\) |
| K80 |
\(\ce{3.2\times10^{-30}*M*({\frac{{T}}{300}})^{-4.5}}\) |
| K8I |
\(\ce{3.0\times10^{-11}}\) |
| KR8 |
\(\ce{{\frac{{K80}}{{K8I}}}}\) |
| NC8 |
\(\ce{0.75-1.27*(\log_{10}({FC8}))}\) |
| F8 |
\(\ce{10^{\log_{10}({FC8})/(1+(\log_{10}({KR8})/{NC8})^{2})}}\) |
| KMT08 |
\(\ce{({K80}*{K8I})*{F8}/({K80}+{K8I})}\) |
KMT09: (source: IUPAC 2012 - NOx16_HO2_NO2)
| Name |
MCM Rate |
| FC9 |
\(\ce{0.4}\) |
| K90 |
\(\ce{1.4\times10^{-31}*M*({\frac{{T}}{300}})^{-3.1}}\) |
| K9I |
\(\ce{4.0\times10^{-12}}\) |
| KR9 |
\(\ce{{\frac{{K90}}{{K9I}}}}\) |
| NC9 |
\(\ce{0.75-1.27*(\log_{10}({FC9}))}\) |
| F9 |
\(\ce{10^{\log_{10}({FC9})/(1+(\log_{10}({KR9})/{NC9})^{2})}}\) |
| KMT09 |
\(\ce{({K90}*{K9I})*{F9}/({K90}+{K9I})}\) |
KMT10: (source: IUPAC 2012 - NOx17_HO2NO2)
| Name |
MCM Rate |
| FC10 |
\(\ce{0.4}\) |
| K100 |
\(\ce{4.10\times10^{-05}*M*\exp({\frac{-10650}{{T}}})}\) |
| K10I |
\(\ce{6.0\times10^{+15}*\exp({\frac{-11170}{{T}}})}\) |
| KR10 |
\(\ce{{\frac{{K100}}{{K10I}}}}\) |
| NC10 |
\(\ce{0.75-1.27*(\log_{10}({FC10}))}\) |
| F10 |
\(\ce{10^{\log_{10}({FC10})/(1+(\log_{10}({KR10})/{NC10})^{2})}}\) |
| KMT10 |
\(\ce{({K100}*{K10I})*{F10}/({K100}+{K10I})}\) |
KMT11: (source: IUPAC 2007 - NOx10_HO_HONO2)
| Name |
MCM Rate |
| K3 |
\(\ce{6.50\times10^{-34}*\exp({\frac{1335}{{T}}})}\) |
| K4 |
\(\ce{2.70\times10^{-17}*\exp({\frac{2199}{{T}}})}\) |
| K1 |
\(\ce{2.40\times10^{-14}*\exp({\frac{460}{{T}}})}\) |
| K2 |
\(\ce{({K3}*M)/(1+({K3}*{\frac{M}{{K4}}}))}\) |
| KMT11 |
\(\ce{{K1} + {K2}}\) |
KMT12: (source: IUPAC 2012 - SOx15_HO_SO2_M)
| Name |
MCM Rate |
| FC12 |
\(\ce{0.53}\) |
| K120 |
\(\ce{2.5\times10^{-31}*M*({\frac{{T}}{300}})^{-2.6}}\) |
| K12I |
\(\ce{2.0\times10^{-12}}\) |
| KR12 |
\(\ce{{\frac{{K120}}{{K12I}}}}\) |
| NC12 |
\(\ce{0.75-1.27*(\log_{10}({FC12}))}\) |
| F12 |
\(\ce{10^{\log_{10}({FC12})/(1.0+(\log_{10}({KR12})/{NC12})^{2})}}\) |
| KMT12 |
\(\ce{({K120}*{K12I}*{F12})/({K120}+{K12I})}\) |
KMT13: (source: IUPAC 2003 - ROO_9_CH3O2_NO2_M)
| Name |
MCM Rate |
| FC13 |
\(\ce{0.36}\) |
| K130 |
\(\ce{2.5\times10^{-30}*M*({\frac{{T}}{300}})^{-5.5}}\) |
| K13I |
\(\ce{1.8\times10^{-11}}\) |
| KR13 |
\(\ce{{\frac{{K130}}{{K13I}}}}\) |
| NC13 |
\(\ce{0.75-1.27*(\log_{10}({FC13}))}\) |
| F13 |
\(\ce{10^{\log_{10}({FC13})/(1+(\log_{10}({KR13})/{NC13})^{2})}}\) |
| KMT13 |
\(\ce{({K130}*{K13I})*{F13}/({K130}+{K13I})}\) |
KMT14: (source: IUPAC 2003 - ROO_10_CH3O2NO2_M)
| Name |
MCM Rate |
| FC14 |
\(\ce{0.36}\) |
| K140 |
\(\ce{9.0\times10^{-5}*\exp({\frac{-9690}{{T}}})*M}\) |
| K14I |
\(\ce{1.1\times10^{+16}*\exp({\frac{-10560}{{T}}})}\) |
| KR14 |
\(\ce{{\frac{{K140}}{{K14I}}}}\) |
| NC14 |
\(\ce{0.75-1.27*(\log_{10}({FC14}))}\) |
| F14 |
\(\ce{10^{\log_{10}({FC14})/(1+(\log_{10}({KR14})/{NC14})^{2})}}\) |
| KMT14 |
\(\ce{({K140}*{K14I})*{F14}/({K140}+{K14I})}\) |
KMT15: (source: IUPAC 2005 - HOx_VOC3_HO_C2H4_M)
| Name |
MCM Rate |
| FC15 |
\(\ce{0.48}\) |
| K150 |
\(\ce{8.6\times10^{-29}*M*({\frac{{T}}{300}})^{-3.1}}\) |
| K15I |
\(\ce{9.0\times10^{-12}*({\frac{{T}}{300}})^{-0.85}}\) |
| KR15 |
\(\ce{{\frac{{K150}}{{K15I}}}}\) |
| NC15 |
\(\ce{0.75-1.27*(\log_{10}({FC15}))}\) |
| F15 |
\(\ce{10^{\log_{10}({FC15})/(1+(\log_{10}({KR15})/{NC15})^{2})}}\) |
| KMT15 |
\(\ce{({K150}*{K15I})*{F15}/({K150}+{K15I})}\) |
KMT16: (source: IUPAC 2005 - HOx_VOC5_HO_C3H6_M)
| Name |
MCM Rate |
| FC16 |
\(\ce{0.5}\) |
| K160 |
\(\ce{8\times10^{-27}*M*({\frac{{T}}{300}})^{-3.5}}\) |
| K16I |
\(\ce{3.0\times10^{-11}*({\frac{{T}}{300}})^{-1}}\) |
| KR16 |
\(\ce{{\frac{{K160}}{{K16I}}}}\) |
| NC16 |
\(\ce{0.75-1.27*(\log_{10}({FC16}))}\) |
| F16 |
\(\ce{10^{\log_{10}({FC16})/(1+(\log_{10}({KR16})/{NC16})^{2})}}\) |
| KMT16 |
\(\ce{({K160}*{K16I})*{F16}/({K160}+{K16I})}\) |
KMT17: (source: MCM 2005 - HOx_VOC2_HO_C2H2_M)
| Name |
MCM Rate |
| FC17 |
\(\ce{0.17*\exp({\frac{-51}{{T}}})+\exp({\frac{-{T}}{204}})}\) |
| K170 |
\(\ce{5.0\times10^{-30}*M*({\frac{{T}}{300}})^{-1.5}}\) |
| K17I |
\(\ce{1.0\times10^{-12}}\) |
| KR17 |
\(\ce{{\frac{{K170}}{{K17I}}}}\) |
| NC17 |
\(\ce{0.75-1.27*(\log_{10}({FC17}))}\) |
| F17 |
\(\ce{10^{\log_{10}({FC17})/(1.0+(\log_{10}({KR17})/{NC17})^{2})}}\) |
| KMT17 |
\(\ce{({K170}*{K17I}*{F17})/({K170}+{K17I})}\) |
KMT18: (source: IUPAC 2006 - SOx22_HO_CH3SCH3)
| Name |
MCM Rate |
| KMT18 |
\(\ce{9.5\times10^{-39}*{O2}*\exp({\frac{5270}{{T}}})/(1+7.5\times10^{-29}*{O2}*\exp({\frac{5610}{{T}}}))}\) |