From cfcc09900a696158648d9bba9a9790900ebf9dfb Mon Sep 17 00:00:00 2001 From: Yeongdo Park Date: Wed, 5 Dec 2018 08:56:30 -0500 Subject: [PATCH] corrected missing enthalpy of formation --- GRI30-Prager/alpha-Han.txt | 47 +++++++++++++++++++------------------- 1 file changed, 23 insertions(+), 24 deletions(-) diff --git a/GRI30-Prager/alpha-Han.txt b/GRI30-Prager/alpha-Han.txt index 10b9d90..6599b9e 100644 --- a/GRI30-Prager/alpha-Han.txt +++ b/GRI30-Prager/alpha-Han.txt @@ -128,29 +128,29 @@ C4H72?2 7.617 4 7 0 0 0.00 0. 0. C4H8?1 7.351 4 8 0 0 9.55 0. 0. C4H8?2 7.367 4 8 0 0 9.10 0. 0. -IC4H8 7.347 4 8 0 0 9.22 -IC4H9 7.485 4 9 0 0 7.25 -TC4H9 7.369 4 9 0 0 7.93 -C4H4O 6.437 4 4 1 0 8.88 -C2H5CHCO 7.907 4 6 1 0 9.75 -SC3H5CHO 7.762 4 6 1 0 9.75 -CH2CHOCHCH2 7.841 4 6 1 0 8.68 -C4H6O 6.951 4 6 1 0 9.16 -C4H8O1?2 7.625 4 8 1 0 9.71 -C4H8O1?3 7.567 4 8 1 0 9.52 -C4H8O1?4 8.215 4 8 1 0 8.98 -C4H8O2?3 7.343 4 8 1 0 8.64 -C4H4O2 7.389 4 4 2 0 9.60 -C4H6O2 8.080 4 6 2 0 0.00 -CHOCH2CH2CH3 7.619 4 8 1 0 9.82 -IC4H7OOH 8.003 4 8 2 0 9.19 -TC3H6OHCHO 8.003 4 8 2 0 10.01 -IC4H9O2H 8.711 4 10 2 0 9.65 -TC4H9O2H 8.477 4 10 2 0 9.30 -C5H5 7.635 5 5 0 0 0.00 -C5H6 8.607 5 6 0 0 9.25 -C5H7 9.458 5 7 0 0 7.25 -C5H8 9.288 5 8 0 0 8.86 +IC4H8 7.347 4 8 0 0 9.22 0. 0. +IC4H9 7.485 4 9 0 0 7.25 0. 0. +TC4H9 7.369 4 9 0 0 7.93 0. 0. +C4H4O 6.437 4 4 1 0 8.88 0. 0. +C2H5CHCO 7.907 4 6 1 0 9.75 0. 0. +SC3H5CHO 7.762 4 6 1 0 9.75 0. 0. +CH2CHOCHCH2 7.841 4 6 1 0 8.68 0. 0. +C4H6O 6.951 4 6 1 0 9.16 0. 0. +C4H8O1?2 7.625 4 8 1 0 9.71 0. 0. +C4H8O1?3 7.567 4 8 1 0 9.52 0. 0. +C4H8O1?4 8.215 4 8 1 0 8.98 0. 0. +C4H8O2?3 7.343 4 8 1 0 8.64 0. 0. +C4H4O2 7.389 4 4 2 0 9.60 0. 0. +C4H6O2 8.080 4 6 2 0 0.00 0. 0. +CHOCH2CH2CH3 7.619 4 8 1 0 9.82 0. 0. +IC4H7OOH 8.003 4 8 2 0 9.19 0. 0. +TC3H6OHCHO 8.003 4 8 2 0 10.01 0. 0. +IC4H9O2H 8.711 4 10 2 0 9.65 0. 0. +TC4H9O2H 8.477 4 10 2 0 9.30 0. 0. +C5H5 7.635 5 5 0 0 0.00 0. 0. +C5H6 8.607 5 6 0 0 9.25 0. 0. +C5H7 9.458 5 7 0 0 7.25 0. 0. +C5H8 9.288 5 8 0 0 8.86 0. 0. C5H6O 8.733 5 6 1 0 8.38 0. 0. C5H4O2 9.172 5 4 2 0 9.22 0. 0. @@ -270,4 +270,3 @@ CO3- 2.677 1 0 3 0 2.69 0. 0. CHO2- 3.345 1 1 2 0 3.50 0. 0. CHO3- 3.712 1 1 3 0 3.69 0. 0. O- 1.424 0 0 1 0 1.46 0. 0. -