435 lines
23 KiB
Text
435 lines
23 KiB
Text
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! misc_tran.dat
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!
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! Miscellaneous collection of transport parameters
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!
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! $Author$
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! $Date$
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! $Revision$
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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!
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!------------------------------------------------------------------------------
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! epsilon Sigma Dipole Polarizability Rotational
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! Config ------ (Angst) Moment Relaxation
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! Param k
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!------------------------------------------------------------------------------
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!
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Ar 0 136.500 3.330 0.000 0.000 0.000
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!
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C 0 71.400 3.298 0.000 0.000 0.000 !(*)
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C2 1 97.530 3.621 0.000 1.760 4.000
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C2O 1 232.400 3.828 0.000 0.000 1.000 ! *
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CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS
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C2H 1 209.000 4.100 0.000 0.000 2.500
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C2H2 1 209.000 4.100 0.000 0.000 2.500
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C2H2OH 2 224.700 4.162 0.000 0.000 1.000 !(*)
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C2H3 2 209.000 4.100 0.000 0.000 1.000 !(*)
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C2H4 2 280.800 3.971 0.000 0.000 1.500
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C2H5 2 252.300 4.302 0.000 0.000 1.500
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C2H6 2 252.300 4.302 0.000 0.000 1.500
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C2N 1 232.400 3.828 0.000 0.000 1.000 ! OIS
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C2N2 1 349.000 4.361 0.000 0.000 1.000 !(OIS)
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C3H2 2 209.000 4.100 0.000 0.000 1.000 !(*)
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C3H3 1 252.000 4.760 0.000 0.000 1.000
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C3H4 1 252.000 4.760 0.000 0.000 1.000
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C3H4P 1 252.000 4.760 0.000 0.000 1.000 ! JAM
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C3H6 2 298.900 4.678 0.000 0.000 1.000 ! sve
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C3H7 2 266.800 4.982 0.000 0.000 1.000
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C4H6 2 357.000 5.180 0.000 0.000 1.000
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I*C3H7 2 266.800 4.982 0.000 0.000 1.000
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N*C3H7 2 266.800 4.982 0.000 0.000 1.000
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C3H8 2 237.100 5.118 0.000 0.000 1.000 ! sve
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C4H 1 357.000 5.180 0.000 0.000 1.000
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C4H2 1 357.000 5.180 0.000 0.000 1.000
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C4H2OH 2 224.700 4.162 0.000 0.000 1.000 !(*)
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C4H3 1 357.000 5.180 0.000 0.000 1.000
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C4H4 1 357.000 5.180 0.000 0.000 1.000
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!
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! Current nomenculature for all of those butene isomers
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C4H8 2 357.000 5.176 0.000 0.000 1.000
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n1-C4H8 2 357.000 5.176 0.000 0.000 1.000
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c2-C4H8 2 357.000 5.176 0.000 0.000 1.000
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t2-C4H8 2 357.000 5.176 0.000 0.000 1.000
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i-C4H8 2 357.000 5.176 0.000 0.000 1.000
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cy-C4H8 2 357.000 5.176 0.000 0.000 1.000
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!
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C4H9 2 357.000 5.176 0.000 0.000 1.000
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S*C4H9 2 357.000 5.176 0.000 0.000 1.000
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I*C4H9 2 357.000 5.176 0.000 0.000 1.000
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!
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! Current nomenclature for butyl radical species
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!
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n-C4H9 2 357.000 5.176 0.000 0.000 1.000
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s-C4H9 2 357.000 5.176 0.000 0.000 1.000
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i-C4H9 2 357.000 5.176 0.000 0.000 1.000
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t-C4H9 2 357.000 5.176 0.000 0.000 1.000
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!
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N*C4H10 2 531.400 4.687 0.000 0.000 1.000 ! sve
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I*C4H10 2 330.100 5.278 0.000 0.000 1.000 ! sve
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n-C4H10 2 531.400 4.687 0.000 0.000 1.000 ! sve
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i-C4H10 2 330.100 5.278 0.000 0.000 1.000 ! sve
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!
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C5H2 1 357.000 5.180 0.000 0.000 1.000
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C5H3 1 357.000 5.180 0.000 0.000 1.000
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C6H2 1 357.000 5.180 0.000 0.000 1.000
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C6H5 2 412.300 5.349 0.000 0.000 1.000 ! JAM
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C6H5(L) 2 412.300 5.349 0.000 0.000 1.000 ! JAM
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C6H5O 2 450.000 5.500 0.000 0.000 1.000 ! JAM
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C5H5OH 2 450.000 5.500 0.000 0.000 1.000 ! JAM
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C6H6 2 412.300 5.349 0.000 0.000 1.000 ! SVE
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C6H7 2 412.300 5.349 0.000 0.000 1.000 ! JAM
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CH 1 80.000 2.750 0.000 0.000 0.000
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CH2 1 144.000 3.800 0.000 0.000 0.000
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CH2(S) 1 144.000 3.800 0.000 0.000 0.000
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CH2(SING) 1 144.000 3.800 0.000 0.000 0.000
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CH2CHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH2CHCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH2CHCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM
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CH2CHCHCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH2CHCHCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH2CO 2 436.000 3.970 0.000 0.000 2.000
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CH2O 2 498.000 3.590 0.000 0.000 2.000
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CH3 1 144.000 3.800 0.000 0.000 0.000
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CH3CC 2 252.000 4.760 0.000 0.000 1.000 ! JAM
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CH3CCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH3CCCH3 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH3CCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM
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CH3CHCH 2 260.000 4.850 0.000 0.000 1.000 ! JAM
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CH3CH2CCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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CH3CHO 2 436.000 3.970 0.000 0.000 2.000
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CH3CO 2 436.000 3.970 0.000 0.000 2.000
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CH3O 2 417.000 3.690 1.700 0.000 2.000
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CH3OH 2 481.800 3.626 0.000 0.000 1.000 ! SVE
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CH4 2 141.400 3.746 0.000 2.600 13.000
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CH4O 2 417.000 3.690 1.700 0.000 2.000
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CN 1 75.000 3.856 0.000 0.000 1.000 !(OIS)
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CNC 1 232.400 3.828 0.000 0.000 1.000 ! OIS
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CNN 1 232.400 3.828 0.000 0.000 1.000 ! OIS
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CO 1 98.100 3.650 0.000 1.950 1.800
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CO2 1 244.000 3.763 0.000 2.650 2.100
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!
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CL 0 130.8 3.613 0.000 0.000 1.000 !(singh)
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Cl- 0 130.8 3.613 0.000 0.000 1.000 !(singh)
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!
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E 0 850. 425. 0.000 0.000 1.000 !(singh)
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!
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F 0 80.000 2.750 0.000 0.000 0.000
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F2 1 125.700 3.301 0.000 1.600 3.800
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!
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H 0 145.000 2.050 0.000 0.000 0.000
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H2C4O 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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H2 1 38.000 2.920 0.000 0.790 280.000
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H2CCCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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H2CCCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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H2CCCH 2 252.000 4.760 0.000 0.000 1.000 ! JAM
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H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm
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H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM
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H2O 2 572.400 2.605 1.844 0.000 4.000
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H2O2 2 107.400 3.458 0.000 0.000 3.800
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H2S 2 301.000 3.600 0.000 0.000 1.000 !(OIS)
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HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS
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HCCHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM
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HCCO 2 150.000 2.500 0.000 0.000 1.000 !(*)
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HCCOH 2 436.000 3.970 0.000 0.000 2.000
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HCN 1 569.000 3.630 0.000 0.000 1.000 !(OIS)
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HCNO 2 232.400 3.828 0.000 0.000 1.000 ! JAM
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HCO 2 498.000 3.590 0.000 0.000 0.000
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HCO+ 1 498.000 3.590 0.000 0.000 0.000
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HCl 1 344.7 3.339 0.000 0.000 1.000 !(singh)
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HF 1 330.000 3.148 1.920 2.460 1.000 ! sv/mec
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HF0 1 352.000 2.490 1.730 0.000 5.000
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HF1 1 352.000 2.490 1.730 0.000 5.000
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HF2 1 352.000 2.490 1.730 0.000 5.000
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HF3 1 352.000 2.490 1.730 0.000 5.000
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HF4 1 352.000 2.490 1.730 0.000 5.000
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HF5 1 352.000 2.490 1.730 0.000 5.000
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HF6 1 352.000 2.490 1.730 0.000 5.000
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HF7 1 352.000 2.490 1.730 0.000 5.000
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HF8 1 352.000 2.490 1.730 0.000 5.000
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!
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HOCN 2 232.400 3.828 0.000 0.000 1.000 !(JAM)
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HNCO 2 232.400 3.828 0.000 0.000 1.000 !(OIS)
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HNNO 2 232.400 3.828 0.000 0.000 1.000 !(*)
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HNO 2 116.700 3.492 0.000 0.000 1.000 !(*)
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HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM
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HO2 2 107.400 3.458 0.000 0.000 1.000 !(*)
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HSO2 2 252.000 4.290 0.000 0.000 1.000 !(OIS)
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He 0 10.200 2.576 0.000 0.000 0.000 !(*)
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HE 0 10.200 2.576 0.000 0.000 0.000 !(*)
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K 0 850. 4.25 0.000 0.000 1.000 !(singh)
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KCl 1 1989. 4.186 0.000 0.000 1.000 !(singh)
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KO 1 383.0 3.812 0.000 0.000 1.000 !(singh)
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KOH 2 1213. 4.52 0.000 0.000 1.000 !(singh)
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KO2 2 1213. 4.69 0.000 0.000 1.000 !(singh)
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KH 1 93.3 3.542 0.000 0.000 1.000 !(singh)
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K+ 0 850. 4.25 0.000 0.000 1.000 !(singh)
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N 0 71.400 3.298 0.000 0.000 0.000 !(*)
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N2 1 97.530 3.621 0.000 1.760 4.000
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N2H2 2 71.400 3.798 0.000 0.000 1.000 !(*)
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N2H3 2 200.000 3.900 0.000 0.000 1.000 !(*)
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N2H4 2 205.000 4.230 0.000 4.260 1.500
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N2O 1 232.400 3.828 0.000 0.000 1.000 !(*)
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NCN 1 232.400 3.828 0.000 0.000 1.000 ! OIS
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NCO 1 232.400 3.828 0.000 0.000 1.000 !(OIS)
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NH 1 80.000 2.650 0.000 0.000 4.000
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NH2 2 80.000 2.650 0.000 2.260 4.000
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NH3 2 481.000 2.920 1.470 0.000 10.000
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NNH 2 71.400 3.798 0.000 0.000 1.000 !(*)
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NO 1 97.530 3.621 0.000 1.760 4.000
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NCNO 2 232.400 3.828 0.000 0.000 1.000 ! OIS
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NO2 2 200.000 3.500 0.000 0.000 1.000 !(*)
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!
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O 0 80.000 2.750 0.000 0.000 0.000
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O2 1 107.400 3.458 0.000 1.600 3.800
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O3 2 180.000 4.100 0.000 0.000 2.000
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OH 1 80.000 2.750 0.000 0.000 0.000
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S 0 847.000 3.839 0.000 0.000 0.000 !(OIS)
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S2 1 847.000 3.900 0.000 0.000 1.000 !(OIS)
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SH 1 847.000 3.900 0.000 0.000 1.000 !(OIS)
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SO 1 301.000 3.993 0.000 0.000 1.000 !(OIS)
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SO2 2 252.000 4.290 0.000 0.000 1.000 !(OIS)
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SO3 2 378.400 4.175 0.000 0.000 1.000 !(OIS)
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!
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! Additions for Silicon CVD
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!
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H2SiSiH2 2 312.6 4.601 0.000 0.000 1.000 !
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H2SISIH2 2 312.6 4.601 0.000 0.000 1.000 !
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H3SiSiH 2 312.6 4.601 0.000 0.000 1.000 !
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H3SISIH 2 312.6 4.601 0.000 0.000 1.000 !
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Si 0 3036. 2.910 0.000 0.000 0.000 !
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SI 0 3036. 2.910 0.000 0.000 0.000 !
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SiH 1 95.8 3.662 0.000 0.000 1.000 !
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SIH 1 95.8 3.662 0.000 0.000 1.000 !
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SiH2 2 133.1 3.803 0.000 0.000 1.000 !
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SIH2 2 133.1 3.803 0.000 0.000 1.000 !
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SiH3 2 170.3 3.943 0.000 0.000 1.000 !
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SIH3 2 170.3 3.943 0.000 0.000 1.000 !
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SiH4 2 207.6 4.084 0.000 0.000 1.000 !
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SIH4 2 207.6 4.084 0.000 0.000 1.000 !
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Si2 1 3036. 3.280 0.000 0.000 1.000 !
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SI2 1 3036. 3.280 0.000 0.000 1.000 !
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Si2H2 2 323.8 4.383 0.000 0.000 1.000 !
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SI2H2 2 323.8 4.383 0.000 0.000 1.000 !
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Si2H3 2 318.2 4.494 0.000 0.000 1.000 !
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Si2H4 2 312.6 4.601 0.000 0.000 1.000 !
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SI2H4 2 312.6 4.601 0.000 0.000 1.000 !
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Si2H5 2 306.9 4.717 0.000 0.000 1.000 !
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Si2H6 2 301.3 4.828 0.000 0.000 1.000 !
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SI2H6 2 301.3 4.828 0.000 0.000 1.000 !
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Si3 2 3036. 3.550 0.000 0.000 1.000 !
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SI3 2 3036. 3.550 0.000 0.000 1.000 !
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Si3H8 2 331.2 5.562 0.000 0.000 1.000 !
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SI3H8 2 331.2 5.562 0.000 0.000 1.000 !
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!
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! Germanium containing species
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!
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GeH4 2 207.6 4.084 0.000 0.000 1.000 !
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GeH2 2 133.1 3.803 0.000 0.000 1.000 !
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! Additions for III/V MOCVD
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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!!!!!! Arsenic containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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As2 1 1045.5 5.507 0.000 0.000 1.000 !(hkm1/94)
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!
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As4 2 618.8 5.95 0.0 0.0 1.0 !
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!
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As 0 1045.5 4.580 0.000 0.000 0.000 !(
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AsH 1 199.3 4.167 0.000 0.000 1.000 !(hkm1/94)
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AsH2 2 229.6 4.156 0.000 0.000 1.000 !(hkm1/94)
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AsH3 2 259.8 4.145 0.000 0.000 1.000 !(Reid et al)
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!
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! Butylated compounds
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!
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AsH2(t-C4H9) 2 400.0 5.930 0.000 0.000 1.000 ! hkm 11/94
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! AsH2(t-C4H9) 2 389.5 6.04 0.0 0.0 1.0 !
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!
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! Ethylated compounds
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!
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AsH2Et 2 365.0 5.120 0.000 0.000 1.000 ! hkm 11/94
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AsHEt2 2 422.0 5.59 0.0 0.0 1.0 ! - interpolation
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AsEt3 2 487.0 6.05 0.000 0.000 1.000 ! hkm 11/94
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!
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! Methylated compounds
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!
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AsH2Me 2 408.0 4.73 0.000 0.000 1.000 ! - name change
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AsMe3 2 382.0 5.49 0.000 0.000 1.000 ! hkm 11/94
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AsHMe2 2 395.0 5.12 0.000 0.000 1.000 ! -lin interp
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!
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AsHMe 2 400.0 4.57 0.0 0.0 1.0 ! hkm - guestimate
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!
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AsMe2CH2 2 342.9 5.59 0.0 0.0 1.0 !
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!
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AsMe2 2 317.0 5.17 0.0 0.0 1.0 !
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AsMeCH2 2 336.7 5.09 0.0 0.0 1.0 !
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!
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AsMe 2 309.6 4.57 0.0 0.0 1.0 !
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AsCH2 2 335.0 4.47 0.0 0.0 1.0 !
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!
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!!!!!! Gallium containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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Ga 0 2961.8 4.62 0.000 0.000 0.000 !
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GaH 1 417.8 4.194 0.000 0.000 1.000 !(hkm1/94)
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!
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! Methylated compounds
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!
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GaMe 2 972.7 4.92 0.000 0.000 1.000 !
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GaMe2 2 675.8 5.22 0.000 0.000 1.000 !
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GaMe3 2 378.2 5.52 0.000 0.000 1.000 !
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!
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GaMe2CH2 2 394.0 5.40 0.0 0.0 1.0 !
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GaMeCH2 2 394.6 4.87 0.0 0.0 1.0 !
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GaCH2 2 439.6 4.17 0.0 0.0 1.0 !
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!
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! Ethylated compounds
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!
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GaEt3 2 491.1 6.00 0.000 0.000 1.000 !
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GaEt2 2 767.2 5.79 0.000 0.000 1.000 !
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GaEt 2 1052. 5.21 0.000 0.000 1.000 !
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!
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! Chlorinated Compounds
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!
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GaEt2Cl 2 594. 5.94 0.0 0.0 1.0 !
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!
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! As Complex Compounds
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!
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GaAs 2 972.7 4.92 0.0 0.0 1.0 !
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!
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!!!!!!!!!!!!!! Indium Containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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In 0 2765. 4.94 0.0 0.0 1.0 !
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! In 0 1217.95 3.988 0.0 0.0 1.0 !
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!
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! Methylated compounds
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!
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InMe3 2 480.4 5.40 0.0 0.0 1.0
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!
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! Ethylated compounds
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!
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InEt3 2 539.0 6.31 0.0 0.0 1.0 !
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InEt2Me 2 519.0 6.00 0.0 0.0 1.0 !
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InEtMe2 2 500.0 5.70 0.0 0.0 1.0 !
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!
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!!!!!!!!!!!!!!! Phosphorus containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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PH3 2 251.5 3.981 0.0 0.0 1.0 !(Reid et al.)
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!
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! Butylated compounds
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!
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PH2(t-C4H9) 2 386. 5.82 0.0 0.0 1.0 ! hkm 11/94
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!
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! Methylated compounds
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!
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PMe3 2 367. 5.41 0.0 0.0 1.0 ! hkm 11/94
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!
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! Ethylated compounds
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!
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PEt3 2 474. 6.14 0.0 0.0 1.0 ! hkm 11/94
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!
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!!!!!!!!!!!!!!! Aluminium containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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Al 0 3296. 4.62 0.0 0.0 1.0 ! hkm 5/94
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!Al 0 2750. 2.655 0.0 0.0 1.0 ! Svelha
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!
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! Methylated compounds
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!
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AlH3 2 580. 4.00 0.0 0.0 1.0 !
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AlH2Me 2 540. 4.40 0.0 0.0 1.0 !
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AlHMe2 2 504. 4.85 0.0 0.0 1.0 ! hkm 11/94
|
|
AlMe3 2 471. 5.30 0.0 0.0 1.0 ! hkm 11/94
|
|
!
|
|
AlMe2 2 766. 5.03 0.0 0.0 1.0 ! hkm 12/94
|
|
AlMe 2 1246. 4.85 0.0 0.0 1.0 ! hkm 12/94
|
|
!
|
|
(AlMe3)2 2 471. 6.71 0.0 0.0 1.0 ! hkm 11/94
|
|
Al2Me6 2 471. 6.71 0.0 0.0 1.0 ! hkm 11/94
|
|
!
|
|
! Ethylated compounds
|
|
!
|
|
AlEt3 2 551. 5.98 0.0 0.0 1.0 ! hkm 11/94
|
|
AlHEt2 2 581. 5.30 0.0 0.0 1.0 !
|
|
AlH2Et 2 600. 4.70 0.0 0.0 1.0 !
|
|
!
|
|
! Butylated compounds
|
|
!
|
|
AlH(i-C4H9)2 2 594. 6.59 0.0 0.0 1.0 ! hkm 1/94
|
|
!
|
|
! Alane Compounds
|
|
!
|
|
AlH3NMe3 2 450. 5.90 0.0 0.0 1.0 !
|
|
AlH3(NMe3)2 2 400. 6.50 0.0 0.0 1.0 !
|
|
!
|
|
!!!!!!!!!!!!! Nitrogen Compounds !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
!
|
|
NMe3 2 400. 5.00 0.0 0.0 1.0 ! guestimate
|
|
!
|
|
!
|
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
! Local Additions for Silicon Nitride CVD
|
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
!
|
|
SiF 1 585.0 3.318 0.000 0.000 1.000 !
|
|
SiF3 2 309.6 4.359 0.000 0.000 1.000 !
|
|
SiF3NH2 2 231.0 4.975 0.000 0.000 1.000 !
|
|
SiF4 2 171.9 4.880 0.000 0.000 1.000 !
|
|
SiHF3 2 180.8 4.681 0.000 0.000 1.000 !
|
|
!
|
|
! Local Additions for chlorosilane species
|
|
! ( Pauline Ho's work)
|
|
!
|
|
SiCl4 2 390.2 5.977 0.000 0.000 1.000
|
|
SiCl3H 2 344.5 5.504 0.000 0.000 1.000
|
|
SiCl2H2 2 298.8 5.031 0.000 0.000 1.000
|
|
SiClH3 2 253.3 4.557 0.000 0.000 1.000
|
|
!
|
|
SiCl3 2 588. 5.230 0.000 0.000 1.000
|
|
SiCl2 2 784. 4.490 0.000 0.000 1.000
|
|
SiCl 1 980. 3.748 0.000 0.000 1.000
|
|
HSiCl 2 458. 4.150 0.000 0.000 1.000
|
|
!
|
|
! Local Additions for SiO2 CVD
|
|
!
|
|
C2H5OH 2 362.6 4.53 0.000 0.000 1.000 !
|
|
OSi(OC2H5)2 2 522.7 7.03 0.000 0.000 1.000 !
|
|
OSI(OC2H5)2 2 522.7 7.03 0.000 0.000 1.000 !
|
|
Si(OC2H5)4 2 522.7 7.03 0.000 0.000 1.000 !
|
|
SI(OC2H5)4 2 522.7 7.03 0.000 0.000 1.000 !
|
|
C2H5OC2H5 2 313.8 5.678 0.000 0.000 1.000 !
|
|
!
|
|
Si(OH)(OC2H5)3 2 522.7 7.03 0.000 0.000 1.000 !(noest)
|
|
Si(OH)2(OC2H5)2 2 522.7 6.35 0.000 0.000 1.000 !(noest)
|
|
Si(OH)3(OC2H5) 2 522.7 5.75 0.000 0.000 1.000 !(noest)
|
|
Si(OH)4 2 522.7 5.25 0.000 0.000 1.000 !(noest)
|
|
SI(OH)(OC2H5)3 2 522.7 7.03 0.000 0.000 1.000 !(noest)
|
|
SI(OH)2(OC2H5)2 2 522.7 6.35 0.000 0.000 1.000 !(noest)
|
|
SI(OH)3(OC2H5) 2 522.7 5.75 0.000 0.000 1.000 !(noest)
|
|
SI(OH)4 2 522.7 5.25 0.000 0.000 1.000 !(noest)
|
|
!
|
|
! Local Additions for Ethanol Combustion mechanism
|
|
!
|
|
! C4H10 is the same as S*C4H10 entry, above
|
|
C4H10 2 330.100 5.278 0.000 0.000 1.000
|
|
!
|
|
! C4H8CY - cyclo-butane same as previous C4H8 entry
|
|
C4H8CY 2 357.000 5.176 0.000 0.000 1.000
|
|
!
|
|
! CH2OH - this is the same entry as CH3OH
|
|
CH2OH 2 481.800 3.626 0.000 0.000 1.000
|
|
!
|
|
! Ethoxy radicals are the same as ethanol entries
|
|
!
|
|
CH3CH2O 2 362.6 4.53 0.000 0.000 1.000
|
|
CH3CHOH 2 362.6 4.53 0.000 0.000 1.000
|
|
CH2CH2OH 2 362.6 4.53 0.000 0.000 1.000
|
|
!
|
|
! CH2CHO - this is the same entry as acetaldehyde - CH3CHO
|
|
!
|
|
CH2CHO 2 436.000 3.970 0.000 0.000 2.000
|
|
!
|
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
|
! END
|
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|