ASSIGNED ! DO NOT OVER-WRITE. CONTAINS PRIMARY ASSIGNMENTS AND DOCUMENTATION ! Assigned mechanisms for species that react only with OH and are ! are appropriately lumped with alkanes in condensed mechanisms. ! ! Includes the following: ! Assigned mechanisms: ! METHANE ! ! "Placeholder" mechanisms for represeting compounds with ! unknwon mechanisms but known or estimated OH rate constants. ! Currently represented: ! "Placeholder" mechanism for haloalkanes and haloalkenes ! "Placeholder" mechanism for amines. ! (Presently same simplifed mechanism is used for both). ! ! Upper limit reactivity estimation mechanisms for various kOH's ! A_1-nn ... Mechanism "A" species, kOH = 1e-nn cm3 molec-1 s-1 ! B_1-nn ... Mechanism "B" species. ! ! PARMS 13 OHRR OHNR OHA1 OHBL OHXC N3RR N3N5 OHXN OHHO OHCR OHMG OHA3 OHME ! ! ! Methane (from base mechanism) ! METHANE K(OH) 2.15E-12 3.448 OHME 1.0 ! ! "Placeholder" mechanisms for halogenated compounds. ! Based on assumption that reactive products are formed. ! Not optmized for particular compounds. ! CL3-ETHE K(OH) 5.63e-13 -0.849 OHA1 0.5 OHA3 0.5 OHRR 1.0 ! Gives suprisingly good fits to chamber data for this compound, C3-BR K(OH) 1.18e-12 OHA1 0.5 OHA3 0.5 OHRR 1.0 ! Gives fair fits to high NOx chamber data, but way overpredicts ! reactivity under low NOx conditions. C4-BR K(OH) 2.46e-12 OHA1 0.5 OHA3 0.5 OHRR 1.0 ! Probably overpredicts MIR by ~25-50%. Way overpredicts reactivity ! under low NOx conditions. CH3-CL K(OH) 3.15e-13 1.163 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 CL2-ME K(OH) 7.69e-13 0.994 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 ME-BR K(OH) 2.34e-13 1.035 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 CHCL3 K(OH) 5.67e-13 1.002 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 C2-CL K(OH) 6.94e-13 0.302 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 12CL2-C2 K(OH) 9.90e-13 0.813 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 11CL2-C2 K(OH) 2.60e-13 OHA1 0.5 OHA3 0.5 OHRR 1.0 112CL3C2 K(OH) 4.00e-13 0.413 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 111-TCE K(OH) 5.33e-13 2.244 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 C2-BR K(OH) 2.72e-11 2.671 OHA1 0.5 OHA3 0.5 OHRR 1.0 11BR2-C2 K(OH) 9.27e-13 0.839 2.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 CL-ETHE K(OH) 1.69e-12 -0.839 OHA1 0.5 OHA3 0.5 OHRR 1.0 T-12-DCE K(OH) 1.01e-12 -0.497 OHA1 0.5 OHA3 0.5 OHRR 1.0 CL4-ETHE K(OH) 9.64e-12 2.403 OHA1 0.5 OHA3 0.5 OHRR 1.0 ! "Placeholder" mechanisms for amines. ! Based on assumption that reactive products are formed, uses ! same mechanism as used for halogenated compounds. ! No data to evaluate. ET-AMINE K(OH) 1.47e-11 -0.376 0.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 OHR2 0.0 DM-AMINE K(OH) 2.89e-11 -0.491 0.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 TM-AMINE K(OH) 2.62e-11 -0.501 0.0 OHA1 0.5 OHA3 0.5 OHRR 1.0 ETOH-NH2 K(OH) 3.15e-11 OHA1 0.5 OHA3 0.5 OHRR 1.0 ETOH2-NH K(OH) 9.37e-11 OHA1 0.5 OHA3 0.5 OHRR 0.96 OHNR 0.04 ETOH3-N K(OH) 1.16e-10 OHA1 0.5 OHA3 0.5 OHRR 0.905 OHNR 0.095 OHR2 0.0 DMAE K(OH) 9.00e-11 OHA1 0.5 OHA3 0.5 OHRR 0.96 OHNR 0.04 A_1-14 K(OH) 1.0E-14 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_1-13 K(OH) 1.0E-13 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_3-13 K(OH) 3.0E-13 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_1-12 K(OH) 1.0E-12 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_3-12 K(OH) 3.0E-12 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_1-11 K(OH) 1.0E-11 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_3-11 K(OH) 3.0E-11 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 A_1-10 K(OH) 1.0E-10 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 B_1-14 K(OH) 1.0E-14 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_1-13 K(OH) 1.0E-13 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_3-13 K(OH) 3.0E-13 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_1-12 K(OH) 1.0E-12 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_3-12 K(OH) 3.0E-12 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_1-11 K(OH) 1.0E-11 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_3-11 K(OH) 3.0E-11 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 B_1-10 K(OH) 1.0E-10 OHRR 1.0 OHR2 2.0 OHA1 1.0 OHA3 1.0 OHK6 1.0 OHMG 0.5 ! DMSO ! K(OH) 6.1E-11 ! OHRR 1.0 ! OHA1 2.0 ! OHR2 1.0