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Different transport properties
I compared transport properties i got from rmg job with transport properties from rmg.mit.edu database
Ar 0 136.501 3.330 0.000 0.000 0.000 ! NIST_Fluorine
He 0 10.200 2.576 0.000 0.000 0.000 ! NOx2018
Ne 0 148.600 3.758 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
HD(1) 2 494.512 6.103 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=642.22 K, Pc=41.04 bar (from Joback method)
C2H4Cl(92) 2 348.883 4.871 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=453.10 K, Pc=56.96 bar (from Joback method)
S(91) 2 421.795 5.518 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=547.79 K, Pc=47.37 bar (from Joback method)
SCCCl(90) 2 421.795 5.518 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=547.79 K, Pc=47.37 bar (from Joback method)
C2H3Cl(89) 2 349.153 4.659 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=453.45 K, Pc=65.14 bar (from Joback method)
S(95) 2 494.512 6.103 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=642.22 K, Pc=41.04 bar (from Joback method)
H(10) 0 145.000 2.050 0.000 0.000 0.000 ! NIST_Fluorine
S(134) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
H2(22) 1 38.000 2.920 0.000 0.790 280.000 ! NIST_Fluorine
S(96) 2 494.512 6.103 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=642.22 K, Pc=41.04 bar (from Joback method)
C2H4Cl(99) 2 348.883 4.871 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=453.10 K, Pc=56.96 bar (from Joback method)
CCCl(107) 2 348.883 4.871 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=453.10 K, Pc=56.96 bar (from Joback method)
S(159) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(203) 2 505.011 6.083 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=655.86 K, Pc=42.33 bar (from Joback method)
S(157) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(154) 2 531.400 4.687 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(320) 2 531.400 4.687 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(105) 2 421.795 5.518 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=547.79 K, Pc=47.37 bar (from Joback method)
S(318) 2 531.400 4.687 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(474) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(498) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(487) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(325) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(501) 2 590.308 6.565 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=766.63 K, Pc=39.36 bar (from Joback method)
S(492) 2 3319.97 0 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(106) 2 421.795 5.518 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=547.79 K, Pc=47.37 bar (from Joback method)
SH(17) 1 847.000 3.900 0.000 0.000 1.000 ! NOx2018
H2S(20) 2 301.000 3.600 0.000 0.000 1.000 ! NOx2018
S(571) 2 425.538 5.554 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=552.65 K, Pc=46.85 bar (from Joback method)
S(467) 2 652.412 7.091 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=847.29 K, Pc=34.52 bar (from Joback method)
S(466) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(456) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(451) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(425) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(427) 2 505.011 6.083 0.000 0.000 0.000 ! Epsilon & sigma estimated with Tc=655.86 K, Pc=42.33 bar (from Joback method)
S(482) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
S(793) 2 399.300 5.949 0.000 0.000 0.000 ! Epsilon & sigma estimated with fixed Lennard Jones Parameters. This is the fallback method! Try improving transport databases!
Even Ar is different epsilon=136.501 in my output, and epsilon=1134.93 in database.
Is this normal?
Thank you in advace.
I think the Chemkin format values aren't quite what you think they are. See Cantera's documentation on Chemkin transport files here: https://cantera.org/tutorials/ck2cti-tutorial.html#sand98.
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