From 859eee33a896d712062f375cde426101a0113555 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Fri, 5 Sep 2003 14:45:59 +0000 Subject: [PATCH] Added a III-V database --- data/transport/misc_tran.dat | 435 +++++++++++++++++++++++++++++++++++ 1 file changed, 435 insertions(+) create mode 100644 data/transport/misc_tran.dat diff --git a/data/transport/misc_tran.dat b/data/transport/misc_tran.dat new file mode 100644 index 000000000..71bce0d79 --- /dev/null +++ b/data/transport/misc_tran.dat @@ -0,0 +1,435 @@ +!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! misc_tran.dat +! +! Miscellaneous collection of transport parameters +! +! $Author$ +! $Date$ +! $Revision$ +! +!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +! +!------------------------------------------------------------------------------ +! epsilon Sigma Dipole Polarizability Rotational +! Config ------ (Angst) Moment Relaxation +! Param k +!------------------------------------------------------------------------------ +! +Ar 0 136.500 3.330 0.000 0.000 0.000 +! +C 0 71.400 3.298 0.000 0.000 0.000 !(*) +C2 1 97.530 3.621 0.000 1.760 4.000 +C2O 1 232.400 3.828 0.000 0.000 1.000 ! * +CN2 1 232.400 3.828 0.000 0.000 1.000 ! OIS +C2H 1 209.000 4.100 0.000 0.000 2.500 +C2H2 1 209.000 4.100 0.000 0.000 2.500 +C2H2OH 2 224.700 4.162 0.000 0.000 1.000 !(*) +C2H3 2 209.000 4.100 0.000 0.000 1.000 !(*) +C2H4 2 280.800 3.971 0.000 0.000 1.500 +C2H5 2 252.300 4.302 0.000 0.000 1.500 +C2H6 2 252.300 4.302 0.000 0.000 1.500 +C2N 1 232.400 3.828 0.000 0.000 1.000 ! OIS +C2N2 1 349.000 4.361 0.000 0.000 1.000 !(OIS) +C3H2 2 209.000 4.100 0.000 0.000 1.000 !(*) +C3H3 1 252.000 4.760 0.000 0.000 1.000 +C3H4 1 252.000 4.760 0.000 0.000 1.000 +C3H4P 1 252.000 4.760 0.000 0.000 1.000 ! JAM +C3H6 2 298.900 4.678 0.000 0.000 1.000 ! sve +C3H7 2 266.800 4.982 0.000 0.000 1.000 +C4H6 2 357.000 5.180 0.000 0.000 1.000 +I*C3H7 2 266.800 4.982 0.000 0.000 1.000 +N*C3H7 2 266.800 4.982 0.000 0.000 1.000 +C3H8 2 237.100 5.118 0.000 0.000 1.000 ! sve +C4H 1 357.000 5.180 0.000 0.000 1.000 +C4H2 1 357.000 5.180 0.000 0.000 1.000 +C4H2OH 2 224.700 4.162 0.000 0.000 1.000 !(*) +C4H3 1 357.000 5.180 0.000 0.000 1.000 +C4H4 1 357.000 5.180 0.000 0.000 1.000 +! +! Current nomenculature for all of those butene isomers +C4H8 2 357.000 5.176 0.000 0.000 1.000 +n1-C4H8 2 357.000 5.176 0.000 0.000 1.000 +c2-C4H8 2 357.000 5.176 0.000 0.000 1.000 +t2-C4H8 2 357.000 5.176 0.000 0.000 1.000 +i-C4H8 2 357.000 5.176 0.000 0.000 1.000 +cy-C4H8 2 357.000 5.176 0.000 0.000 1.000 +! +C4H9 2 357.000 5.176 0.000 0.000 1.000 +S*C4H9 2 357.000 5.176 0.000 0.000 1.000 +I*C4H9 2 357.000 5.176 0.000 0.000 1.000 +! +! Current nomenclature for butyl radical species +! +n-C4H9 2 357.000 5.176 0.000 0.000 1.000 +s-C4H9 2 357.000 5.176 0.000 0.000 1.000 +i-C4H9 2 357.000 5.176 0.000 0.000 1.000 +t-C4H9 2 357.000 5.176 0.000 0.000 1.000 +! +N*C4H10 2 531.400 4.687 0.000 0.000 1.000 ! sve +I*C4H10 2 330.100 5.278 0.000 0.000 1.000 ! sve +n-C4H10 2 531.400 4.687 0.000 0.000 1.000 ! sve +i-C4H10 2 330.100 5.278 0.000 0.000 1.000 ! sve +! +C5H2 1 357.000 5.180 0.000 0.000 1.000 +C5H3 1 357.000 5.180 0.000 0.000 1.000 +C6H2 1 357.000 5.180 0.000 0.000 1.000 +C6H5 2 412.300 5.349 0.000 0.000 1.000 ! JAM +C6H5(L) 2 412.300 5.349 0.000 0.000 1.000 ! JAM +C6H5O 2 450.000 5.500 0.000 0.000 1.000 ! JAM +C5H5OH 2 450.000 5.500 0.000 0.000 1.000 ! JAM +C6H6 2 412.300 5.349 0.000 0.000 1.000 ! SVE +C6H7 2 412.300 5.349 0.000 0.000 1.000 ! JAM +CH 1 80.000 2.750 0.000 0.000 0.000 +CH2 1 144.000 3.800 0.000 0.000 0.000 +CH2(S) 1 144.000 3.800 0.000 0.000 0.000 +CH2(SING) 1 144.000 3.800 0.000 0.000 0.000 +CH2CHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH2CHCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH2CHCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM +CH2CHCHCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH2CHCHCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH2CO 2 436.000 3.970 0.000 0.000 2.000 +CH2O 2 498.000 3.590 0.000 0.000 2.000 +CH3 1 144.000 3.800 0.000 0.000 0.000 +CH3CC 2 252.000 4.760 0.000 0.000 1.000 ! JAM +CH3CCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH3CCCH3 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH3CCH2 2 260.000 4.850 0.000 0.000 1.000 ! JAM +CH3CHCH 2 260.000 4.850 0.000 0.000 1.000 ! JAM +CH3CH2CCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM +CH3CHO 2 436.000 3.970 0.000 0.000 2.000 +CH3CO 2 436.000 3.970 0.000 0.000 2.000 +CH3O 2 417.000 3.690 1.700 0.000 2.000 +CH3OH 2 481.800 3.626 0.000 0.000 1.000 ! SVE +CH4 2 141.400 3.746 0.000 2.600 13.000 +CH4O 2 417.000 3.690 1.700 0.000 2.000 +CN 1 75.000 3.856 0.000 0.000 1.000 !(OIS) +CNC 1 232.400 3.828 0.000 0.000 1.000 ! OIS +CNN 1 232.400 3.828 0.000 0.000 1.000 ! OIS +CO 1 98.100 3.650 0.000 1.950 1.800 +CO2 1 244.000 3.763 0.000 2.650 2.100 +! +CL 0 130.8 3.613 0.000 0.000 1.000 !(singh) +Cl- 0 130.8 3.613 0.000 0.000 1.000 !(singh) +! +E 0 850. 425. 0.000 0.000 1.000 !(singh) +! +F 0 80.000 2.750 0.000 0.000 0.000 +F2 1 125.700 3.301 0.000 1.600 3.800 +! +H 0 145.000 2.050 0.000 0.000 0.000 +H2C4O 2 357.000 5.180 0.000 0.000 1.000 ! JAM +H2 1 38.000 2.920 0.000 0.790 280.000 +H2CCCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM +H2CCCCH2 2 357.000 5.180 0.000 0.000 1.000 ! JAM +H2CCCH 2 252.000 4.760 0.000 0.000 1.000 ! JAM +H2CN 1 569.000 3.630 0.000 0.000 1.000 ! os/jm +H2NO 2 116.700 3.492 0.000 0.000 1.000 ! JAM +H2O 2 572.400 2.605 1.844 0.000 4.000 +H2O2 2 107.400 3.458 0.000 0.000 3.800 +H2S 2 301.000 3.600 0.000 0.000 1.000 !(OIS) +HC2N2 1 349.000 4.361 0.000 0.000 1.000 ! OIS +HCCHCCH 2 357.000 5.180 0.000 0.000 1.000 ! JAM +HCCO 2 150.000 2.500 0.000 0.000 1.000 !(*) +HCCOH 2 436.000 3.970 0.000 0.000 2.000 +HCN 1 569.000 3.630 0.000 0.000 1.000 !(OIS) +HCNO 2 232.400 3.828 0.000 0.000 1.000 ! JAM +HCO 2 498.000 3.590 0.000 0.000 0.000 +HCO+ 1 498.000 3.590 0.000 0.000 0.000 +HCl 1 344.7 3.339 0.000 0.000 1.000 !(singh) +HF 1 330.000 3.148 1.920 2.460 1.000 ! sv/mec +HF0 1 352.000 2.490 1.730 0.000 5.000 +HF1 1 352.000 2.490 1.730 0.000 5.000 +HF2 1 352.000 2.490 1.730 0.000 5.000 +HF3 1 352.000 2.490 1.730 0.000 5.000 +HF4 1 352.000 2.490 1.730 0.000 5.000 +HF5 1 352.000 2.490 1.730 0.000 5.000 +HF6 1 352.000 2.490 1.730 0.000 5.000 +HF7 1 352.000 2.490 1.730 0.000 5.000 +HF8 1 352.000 2.490 1.730 0.000 5.000 +! +HOCN 2 232.400 3.828 0.000 0.000 1.000 !(JAM) +HNCO 2 232.400 3.828 0.000 0.000 1.000 !(OIS) +HNNO 2 232.400 3.828 0.000 0.000 1.000 !(*) +HNO 2 116.700 3.492 0.000 0.000 1.000 !(*) +HNOH 2 116.700 3.492 0.000 0.000 1.000 ! JAM +HO2 2 107.400 3.458 0.000 0.000 1.000 !(*) +HSO2 2 252.000 4.290 0.000 0.000 1.000 !(OIS) +He 0 10.200 2.576 0.000 0.000 0.000 !(*) +HE 0 10.200 2.576 0.000 0.000 0.000 !(*) +K 0 850. 4.25 0.000 0.000 1.000 !(singh) +KCl 1 1989. 4.186 0.000 0.000 1.000 !(singh) +KO 1 383.0 3.812 0.000 0.000 1.000 !(singh) +KOH 2 1213. 4.52 0.000 0.000 1.000 !(singh) +KO2 2 1213. 4.69 0.000 0.000 1.000 !(singh) +KH 1 93.3 3.542 0.000 0.000 1.000 !(singh) +K+ 0 850. 4.25 0.000 0.000 1.000 !(singh) +N 0 71.400 3.298 0.000 0.000 0.000 !(*) +N2 1 97.530 3.621 0.000 1.760 4.000 +N2H2 2 71.400 3.798 0.000 0.000 1.000 !(*) +N2H3 2 200.000 3.900 0.000 0.000 1.000 !(*) +N2H4 2 205.000 4.230 0.000 4.260 1.500 +N2O 1 232.400 3.828 0.000 0.000 1.000 !(*) +NCN 1 232.400 3.828 0.000 0.000 1.000 ! OIS +NCO 1 232.400 3.828 0.000 0.000 1.000 !(OIS) +NH 1 80.000 2.650 0.000 0.000 4.000 +NH2 2 80.000 2.650 0.000 2.260 4.000 +NH3 2 481.000 2.920 1.470 0.000 10.000 +NNH 2 71.400 3.798 0.000 0.000 1.000 !(*) +NO 1 97.530 3.621 0.000 1.760 4.000 +NCNO 2 232.400 3.828 0.000 0.000 1.000 ! OIS +NO2 2 200.000 3.500 0.000 0.000 1.000 !(*) +! +O 0 80.000 2.750 0.000 0.000 0.000 +O2 1 107.400 3.458 0.000 1.600 3.800 +O3 2 180.000 4.100 0.000 0.000 2.000 +OH 1 80.000 2.750 0.000 0.000 0.000 +S 0 847.000 3.839 0.000 0.000 0.000 !(OIS) +S2 1 847.000 3.900 0.000 0.000 1.000 !(OIS) +SH 1 847.000 3.900 0.000 0.000 1.000 !(OIS) +SO 1 301.000 3.993 0.000 0.000 1.000 !(OIS) +SO2 2 252.000 4.290 0.000 0.000 1.000 !(OIS) +SO3 2 378.400 4.175 0.000 0.000 1.000 !(OIS) +! +! Additions for Silicon CVD +! +H2SiSiH2 2 312.6 4.601 0.000 0.000 1.000 ! +H2SISIH2 2 312.6 4.601 0.000 0.000 1.000 ! +H3SiSiH 2 312.6 4.601 0.000 0.000 1.000 ! +H3SISIH 2 312.6 4.601 0.000 0.000 1.000 ! +Si 0 3036. 2.910 0.000 0.000 0.000 ! +SI 0 3036. 2.910 0.000 0.000 0.000 ! +SiH 1 95.8 3.662 0.000 0.000 1.000 ! +SIH 1 95.8 3.662 0.000 0.000 1.000 ! +SiH2 2 133.1 3.803 0.000 0.000 1.000 ! +SIH2 2 133.1 3.803 0.000 0.000 1.000 ! +SiH3 2 170.3 3.943 0.000 0.000 1.000 ! +SIH3 2 170.3 3.943 0.000 0.000 1.000 ! +SiH4 2 207.6 4.084 0.000 0.000 1.000 ! +SIH4 2 207.6 4.084 0.000 0.000 1.000 ! +Si2 1 3036. 3.280 0.000 0.000 1.000 ! +SI2 1 3036. 3.280 0.000 0.000 1.000 ! +Si2H2 2 323.8 4.383 0.000 0.000 1.000 ! +SI2H2 2 323.8 4.383 0.000 0.000 1.000 ! +Si2H3 2 318.2 4.494 0.000 0.000 1.000 ! +Si2H4 2 312.6 4.601 0.000 0.000 1.000 ! +SI2H4 2 312.6 4.601 0.000 0.000 1.000 ! +Si2H5 2 306.9 4.717 0.000 0.000 1.000 ! +Si2H6 2 301.3 4.828 0.000 0.000 1.000 ! +SI2H6 2 301.3 4.828 0.000 0.000 1.000 ! +Si3 2 3036. 3.550 0.000 0.000 1.000 ! +SI3 2 3036. 3.550 0.000 0.000 1.000 ! +Si3H8 2 331.2 5.562 0.000 0.000 1.000 ! +SI3H8 2 331.2 5.562 0.000 0.000 1.000 ! +! +! Germanium containing species +! +GeH4 2 207.6 4.084 0.000 0.000 1.000 ! +GeH2 2 133.1 3.803 0.000 0.000 1.000 ! +! +!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! Additions for III/V MOCVD +!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +!!!!!! Arsenic containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +As2 1 1045.5 5.507 0.000 0.000 1.000 !(hkm1/94) +! +As4 2 618.8 5.95 0.0 0.0 1.0 ! +! +As 0 1045.5 4.580 0.000 0.000 0.000 !( +AsH 1 199.3 4.167 0.000 0.000 1.000 !(hkm1/94) +AsH2 2 229.6 4.156 0.000 0.000 1.000 !(hkm1/94) +AsH3 2 259.8 4.145 0.000 0.000 1.000 !(Reid et al) +! +! Butylated compounds +! +AsH2(t-C4H9) 2 400.0 5.930 0.000 0.000 1.000 ! hkm 11/94 +! AsH2(t-C4H9) 2 389.5 6.04 0.0 0.0 1.0 ! +! +! Ethylated compounds +! +AsH2Et 2 365.0 5.120 0.000 0.000 1.000 ! hkm 11/94 +AsHEt2 2 422.0 5.59 0.0 0.0 1.0 ! - interpolation +AsEt3 2 487.0 6.05 0.000 0.000 1.000 ! hkm 11/94 +! +! Methylated compounds +! +AsH2Me 2 408.0 4.73 0.000 0.000 1.000 ! - name change +AsMe3 2 382.0 5.49 0.000 0.000 1.000 ! hkm 11/94 +AsHMe2 2 395.0 5.12 0.000 0.000 1.000 ! -lin interp +! +AsHMe 2 400.0 4.57 0.0 0.0 1.0 ! hkm - guestimate +! +AsMe2CH2 2 342.9 5.59 0.0 0.0 1.0 ! +! +AsMe2 2 317.0 5.17 0.0 0.0 1.0 ! +AsMeCH2 2 336.7 5.09 0.0 0.0 1.0 ! +! +AsMe 2 309.6 4.57 0.0 0.0 1.0 ! +AsCH2 2 335.0 4.47 0.0 0.0 1.0 ! +! +!!!!!! Gallium containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +Ga 0 2961.8 4.62 0.000 0.000 0.000 ! +GaH 1 417.8 4.194 0.000 0.000 1.000 !(hkm1/94) +! +! Methylated compounds +! +GaMe 2 972.7 4.92 0.000 0.000 1.000 ! +GaMe2 2 675.8 5.22 0.000 0.000 1.000 ! +GaMe3 2 378.2 5.52 0.000 0.000 1.000 ! +! +GaMe2CH2 2 394.0 5.40 0.0 0.0 1.0 ! +GaMeCH2 2 394.6 4.87 0.0 0.0 1.0 ! +GaCH2 2 439.6 4.17 0.0 0.0 1.0 ! +! +! Ethylated compounds +! +GaEt3 2 491.1 6.00 0.000 0.000 1.000 ! +GaEt2 2 767.2 5.79 0.000 0.000 1.000 ! +GaEt 2 1052. 5.21 0.000 0.000 1.000 ! +! +! Chlorinated Compounds +! +GaEt2Cl 2 594. 5.94 0.0 0.0 1.0 ! +! +! As Complex Compounds +! +GaAs 2 972.7 4.92 0.0 0.0 1.0 ! +! +!!!!!!!!!!!!!! Indium Containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +In 0 2765. 4.94 0.0 0.0 1.0 ! +! In 0 1217.95 3.988 0.0 0.0 1.0 ! +! +! Methylated compounds +! +InMe3 2 480.4 5.40 0.0 0.0 1.0 +! +! Ethylated compounds +! +InEt3 2 539.0 6.31 0.0 0.0 1.0 ! +InEt2Me 2 519.0 6.00 0.0 0.0 1.0 ! +InEtMe2 2 500.0 5.70 0.0 0.0 1.0 ! +! +!!!!!!!!!!!!!!! Phosphorus containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +PH3 2 251.5 3.981 0.0 0.0 1.0 !(Reid et al.) +! +! Butylated compounds +! +PH2(t-C4H9) 2 386. 5.82 0.0 0.0 1.0 ! hkm 11/94 +! +! Methylated compounds +! +PMe3 2 367. 5.41 0.0 0.0 1.0 ! hkm 11/94 +! +! Ethylated compounds +! +PEt3 2 474. 6.14 0.0 0.0 1.0 ! hkm 11/94 +! +!!!!!!!!!!!!!!! Aluminium containing species !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! +! +Al 0 3296. 4.62 0.0 0.0 1.0 ! hkm 5/94 +!Al 0 2750. 2.655 0.0 0.0 1.0 ! Svelha +! +! Methylated compounds +! +AlH3 2 580. 4.00 0.0 0.0 1.0 ! +AlH2Me 2 540. 4.40 0.0 0.0 1.0 ! +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 +!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!