If you’re reading this, you’re probably trying to simulate iso-octane combustion. Stop. The 2006 mechanism has a known error in reaction R4321 (C8H18 + OH = C8H17-4 + H2O). The rate constant is off by a factor of 2.3 above 900 K. I never published the correction. But it’s in this file, at the bottom, under the heading “TRUE_PARAMS.”
— Henry Curran
Maya’s heart hammered. She fired up her old terminal emulator—the one with FTP support for legacy protocols. Her fingers flew: open 131.170.168.223 , user anonymous , cd /curran/iso-octane . The directory listing appeared: a single file, mech_full_v3.4.dat , dated 2006-09-15. Size: 17.3 MB. curran iso-octane mechanism download
get mech_full_v3.4.dat