Table 4.3: Chemical species identification properties lists the identifying properties and Table 4.4: Fuel species single-temperature properties lists the temperaturedependent physical properties that are employed in a Surrogate Blend Optimization or included in the Fuel Library for each component listed inTable 4.3: Chemical species identification properties. A subset of these properties are based on correlations that are defined in Correlations Used for Non-constant Properties. See Correlations Used for Non-constant Properties for details regarding the definition of the coefficients used for each property.
Table 4.3: Chemical species identification properties
|
Property Tag Name |
Description |
|---|---|
|
CommonName |
Common name for fuel species |
|
SymbolicName |
Species symbolic name |
|
CAS |
Chemical Abstracts Service Registry Number |
|
Class |
Chemical class |
|
SMILES |
SMILES string based on Marvin canonical form[a] that contains molecular structure information. |
[a] MarvinView 5.1.5 (http://www.chemaxon.com).
Table 4.4: Fuel species single-temperature properties
|
Property Tag Name |
Description |
Property Units |
|---|---|---|
|
CriticalTemperature |
Single temperature value. Used in Vaporization model. |
K |
|
LowerHeatingValue |
Single value. Used in the estimation of the mixture Lower Heating Value. |
MJ/kg |
|
Cetane |
Single value. Used in the estimation of Cetane Number. |
n/a |
|
RON |
Single value. Used in the estimation of Research Octane Number. |
n/a |
|
MON |
Single value. Used in the estimation of Motored Octane Number. |
n/a |
|
Boilingpoint |
Single value. Used in the estimation of True Boiling Point. |
K |
|
TSI |
Single value. Used in the estimation of Threshold Sooting Index. |
n/a |
|
Ratings |
Rating of the available reaction mechanism |
n/a |