In the fuel-property file included for use with the SBO, data for each species is encoded in text "tags" within the thermodynamic data. For each species, tags are included for:
Species common name (for example, "hydrogen")
CAS number (chemical abstract number)
SMILES string
The specific set of properties used to represent the fuel in Reaction Workbench simulations (see Table 4.3: Chemical species identification properties and Table 4.4: Fuel species single-temperature properties).
Each property specification tag must be in a prescribed format; these tags are written as comments in the thermodynamic data. Example 4.1: Generic tag example shows a generic tag format and Example 4.2: Sample tagging entry for "Ethanol": Properties tags begin with "!" and Thermo data block follows shows a specification for ethanol:
Table 4.6: Summary of the rules for fuel property tags
|
Tag component |
Contents |
|---|---|
|
! |
All tags must begin with "!" |
|
single space |
Single space is required. |
|
[_ |
Bracket and underscore open the property tag. |
|
single space |
Single space is required between tag identifier and property name. |
|
Property Name |
The property name, with no spaces. See Table 4.4: Fuel species single-temperature properties and for a list of currently supported property names. |
|
= |
Assigns property name to following values. |
|
" n1 n2..." |
Double quotes are required delimiters, with spaces separating sets of values within the quotation marks. |
|
single space |
Single space is required between quotation marks and tag close. |
|
_] |
Underscore and bracket close the property tag. |
Example 4.2: Sample tagging entry for "Ethanol": Properties tags begin with "!" and Thermo data block follows
