! Fisher E.M., Pitz W.J., Curran H.J., Westbrook, C.K., 
! "Detailed Chemical Kinetic Mechanisms for Combustion of Oxygenated Fuels", 
! Proceedings of the Combustion Institute, Volume 28, p. 1579-1586, 2000;!
! Lawrence Livermore National Laboratory, Livermore, CA, UCRL-JC-137097. 
! UCRL-WEB-204236, Review and release date: May 19, 2004.
!
6/16/2000
Elizabeth M. Fisher


The following are some notes explaining the choice of species names
in the methyl butanoate and methyl formate mechanisms:

mb=methyl butanoate
mp=methyl propanoate
me=methyl ethanoate
mm=methyl methanoate (=methyl formate)
ba= butanoic acid


Carbons are numbered starting with 1 = carbonyl carbon.
m denotes the carbon in the methoxy group
Groups attached to a given carbon atom are listed after the number or letter
  labelling that carbon atom.
j denotes a radical site
*o denotes an oxygen atom attached via a double bond.
  For example, mb3j4ooh is methyl butanoate with a hydroxyl group attached to
  the terminal cabon (number 4) and a hydrogen atom missing from the carbon
  next to the terminal one (number 3)
d denotes a double bond connecting carbon n and carbon n+1.  For example,
   mb2d has a double bond between carbon 2 and carbon 3.

An example of a cyclic species is:, mbcy4o2, which resembles mb but
  has an O bonded between carbons 4 and 2.

Note that in many cases a more conventional notation is used.
  For example, ch3oco is used instead of mm1j.  This is mainly for
  consistency with other reaction mechanisms.